Saturday, May 4, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-bromophenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropanecarboxamide
CAS Name: 1-(4-bromophenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-cyclopropanecarboxamide
IUPAC NAME: 1-(4-bromophenyl)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: 1-(4-bromophenyl)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C19H17BrClNO3
MOLECULAR WEIGHT: 422.70018
SMILES: C1COC2=C(C=C(C(=C2)NC(=O)C3(CC3)C4=CC=C(C=C4)Br)Cl)OC1
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Product OPENEYE NAME: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CAS Name: 4-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
IUPAC NAME: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
SYSTEMATIC NAME: 4-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
MOLECULAR FORMULA: C17H16Cl2N4OS
MOLECULAR WEIGHT: 395.30614
SMILES: COCCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=NC=C3
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Product OPENEYE NAME: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C20H15BrN4O3
MOLECULAR WEIGHT: 439.2621
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=NC(=NO3)C4=CC(=CC=C4)Br
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Product OPENEYE NAME: 4-(diethylamino)-N'-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]benzohydrazide
CAS Name: 4-(diethylamino)-N'-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]benzohydrazide
IUPAC NAME: 4-(diethylamino)-N'-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]benzohydrazide
SYSTEMATIC NAME: 4-(diethylamino)-N'-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]benzohydrazide
MOLECULAR FORMULA: C22H25N5O3S
MOLECULAR WEIGHT: 439.5306
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)NNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CAS Name: 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C18H14ClN3O4S
MOLECULAR WEIGHT: 403.83946
SMILES: CNC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (6-chloro-3-pyridyl)methyl 5-[(2-oxo-1-pyridyl)methyl]furan-2-carboxylate
CAS Name: 5-[(2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid (6-chloro-3-pyridinyl)methyl ester
IUPAC NAME: (6-chloropyridin-3-yl)methyl 5-[(2-oxopyridin-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: (6-chloranylpyridin-3-yl)methyl 5-[(2-oxidanylidenepyridin-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C17H13ClN2O4
MOLECULAR WEIGHT: 344.74912
SMILES: C1=CC(=O)N(C=C1)CC2=CC=C(O2)C(=O)OCC3=CN=C(C=C3)Cl
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Product OPENEYE NAME: N-[2-chloro-5-[[2-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CAS Name: N-[2-chloro-5-[[2-[(cyclopropylamino)-oxomethyl]anilino]-oxomethyl]phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[2-chloro-5-[[2-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-chloranyl-5-[[2-(cyclopropylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C22H18ClN3O3S
MOLECULAR WEIGHT: 439.91462
SMILES: C1CC1NC(=O)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4
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Product OPENEYE NAME: (2E,4E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)hexa-2,4-dienamide
CAS Name: (2E,4E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)hexa-2,4-dienamide
IUPAC NAME: (2E,4E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)hexa-2,4-dienamide
SYSTEMATIC NAME: (2E,4E)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)hexa-2,4-dienamide
MOLECULAR FORMULA: C15H16ClNO3
MOLECULAR WEIGHT: 293.74544
SMILES: C/C=C/C=C/C(=O)NC1=CC2=C(C=C1Cl)OCCCO2
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Product OPENEYE NAME: N-[4-[[(1R)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H20ClN3O3
MOLECULAR WEIGHT: 397.8548
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@@H](C)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester
IUPAC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C18H14N4O3S
MOLECULAR WEIGHT: 366.39376
SMILES: CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4
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Product OPENEYE NAME: N-[4-[[(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H20ClN3O3
MOLECULAR WEIGHT: 397.8548
SMILES: CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-6-methyl-1-(2-thienylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-6-methyl-1-(thiophen-2-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C22H19ClN4O3S
MOLECULAR WEIGHT: 454.92926
SMILES: CC1=NC2=C(C=NN2CC3=CC=CS3)C(=C1)C(=O)NC4=CC5=C(C=C4Cl)OCCCO5
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Product OPENEYE NAME: [4-(methylcarbamoyl)phenyl] 2-(2-phenylthiazol-4-yl)acetate
CAS Name: 2-(2-phenyl-4-thiazolyl)acetic acid [4-(methylcarbamoyl)phenyl] ester
IUPAC NAME: [4-(methylcarbamoyl)phenyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SYSTEMATIC NAME: [4-(methylcarbamoyl)phenyl] 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate
MOLECULAR FORMULA: C19H16N2O3S
MOLECULAR WEIGHT: 352.40694
SMILES: CNC(=O)C1=CC=C(C=C1)OC(=O)CC2=CSC(=N2)C3=CC=CC=C3
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Product OPENEYE NAME: (2S)-N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]tetrahydrofuran-2-carboxamide
CAS Name: (2S)-N-[3-[[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-oxomethyl]phenyl]-2-oxolanecarboxamide
IUPAC NAME: (2S)-N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C21H21ClN2O5
MOLECULAR WEIGHT: 416.85484
SMILES: C1C[C@H](OC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4
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Product OPENEYE NAME: N-[4-[[(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: (2R)-N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]tetrahydrofuran-2-carboxamide
CAS Name: (2R)-N-[3-[[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-oxomethyl]phenyl]-2-oxolanecarboxamide
IUPAC NAME: (2R)-N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SYSTEMATIC NAME: (2R)-N-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C21H21ClN2O5
MOLECULAR WEIGHT: 416.85484
SMILES: C1C[C@@H](OC1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4
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Product OPENEYE NAME: N-[4-[[(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[4-[[(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](C)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C
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Product OPENEYE NAME: N-[4-[[(1S)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2S)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@H](C)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)C
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Product OPENEYE NAME: N-[4-[[(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C20H18BrN3O3
MOLECULAR WEIGHT: 428.27922
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)Br)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[4-[[(1S)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2S)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C20H18BrN3O3
MOLECULAR WEIGHT: 428.27922
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)Br)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: (3R)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CAS Name: (3R)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C20H21ClN2O4S
MOLECULAR WEIGHT: 420.90974
SMILES: C1C[C@H](CN(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3Cl)OCCCO4
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Product OPENEYE NAME: N-[4-[[(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]amino]phenyl]furan-2-carboxamide
CAS Name: N-[4-[[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]amino]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C22H23N3O3
MOLECULAR WEIGHT: 377.43632
SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
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