Product OPENEYE NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
CAS Name: 2-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]acetic acid
IUPAC NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]acetic acid
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H14BrN5O2
MOLECULAR WEIGHT: 388.21866
SMILES: CN(CC(=O)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid
CAS Name: 4-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]butanoic acid
IUPAC NAME: 4-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]butanoic acid
SYSTEMATIC NAME: 4-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]butanoic acid
MOLECULAR FORMULA: C17H16BrN5O2
MOLECULAR WEIGHT: 402.24524
SMILES: C1=CC(=C(C(=C1)Br)NCCCC(=O)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CAS Name: N4-(3-bromophenyl)-N6-[2-(1-imidazolyl)ethyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
IUPAC NAME: 4-N-(3-bromophenyl)-6-N-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SYSTEMATIC NAME: N4-(3-bromophenyl)-N6-(2-imidazol-1-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
MOLECULAR FORMULA: C17H15BrN8
MOLECULAR WEIGHT: 411.2586
SMILES: C1=CC(=CC(=C1)Br)NC2=NC=NC3=CN=C(N=C32)NCCN4C=CN=C4
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Product OPENEYE NAME: 3-bromo-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
CAS Name: 3-bromo-N2-[3-(4-methyl-1-piperazinyl)propyl]-N1-(4-pyrido[4,3-d]pyrimidinyl)benzene-1,2-diamine
IUPAC NAME: 3-bromo-2-N-[3-(4-methylpiperazin-1-yl)propyl]-1-N-pyrido[4,3-d]pyrimidin-4-ylbenzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-N2-[3-(4-methylpiperazin-1-yl)propyl]-N1-pyrido[4,3-d]pyrimidin-4-yl-benzene-1,2-diamine
MOLECULAR FORMULA: C21H26BrN7
MOLECULAR WEIGHT: 456.38204
SMILES: CN1CCN(CC1)CCCNC2=C(C=CC=C2Br)NC3=NC=NC4=C3C=NC=C4
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Product OPENEYE NAME: 4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[[(E)-3-carboxy-1-oxoprop-2-enyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-[[(E)-3-carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-[[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H13F3N2O5
MOLECULAR WEIGHT: 394.30143
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)/C=C/C(=O)O)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-benzamido-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C21H15F3N2O3
MOLECULAR WEIGHT: 400.35061
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(2-pyridyl)methanone
CAS Name: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(2-pyridinyl)methanone
IUPAC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
SYSTEMATIC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-yl-methanone
MOLECULAR FORMULA: C29H33N3O3
MOLECULAR WEIGHT: 471.59062
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=CC=N5
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Product OPENEYE NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyridyl)methanone
CAS Name: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
IUPAC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C29H33N3O3
MOLECULAR WEIGHT: 471.59062
SMILES: COC1=CC=CC=C1OC2=CC=CC=C2CN3CCC4(CC3)CCN(CC4)C(=O)C5=CC=NC=C5
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[bis(cyclopropylmethyl)amino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C50H84N4O3
MOLECULAR WEIGHT: 789.22696
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCN(CC7CC7)CC8CC8
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-(diheptylamino)propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-(diheptylamino)propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C56H100N4O3
MOLECULAR WEIGHT: 877.4182
SMILES: CCCCCCCN(CCCCCCC)CCCN1CCN(CC1)CCCNC(=O)[C@]23CC[C@H]([C@@H]([C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC3)C)C)(C)C)OC(=O)C)C)C)C
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Product OPENEYE NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-(4-pyridyl)methanone
CAS Name: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
IUPAC NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3-[(2-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C28H31N3O2
MOLECULAR WEIGHT: 441.56464
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=CC=NC=C3)CC4=CC=CC=C4OC5=CC=CC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H38N6O4
MOLECULAR WEIGHT: 618.72472
SMILES: CC(C)NCCNCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CNCCNC(C)C)C1=O
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Product OPENEYE NAME: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-5-ethyl-tetrahydrofuran-2-one
CAS Name: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-5-ethyl-2-oxolanone
IUPAC NAME: (3S)-3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-5-ethyloxolan-2-one
SYSTEMATIC NAME: (3S)-3-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-5-ethyl-oxolan-2-one
MOLECULAR FORMULA: C24H35ClN2O4
MOLECULAR WEIGHT: 450.9987
SMILES: CCC1C[C@@H](C(=O)O1)N2CCC(CC2)CN3CCC(CC3)OC4=CC(=C(C=C4)CO)Cl
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Product OPENEYE NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetoxy-ethoxy]-4-oxo-butanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-(1-oxoprop-2-enoxy)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-1,4-dioxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxyethoxy]-4-oxobutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,6R)-6-[[4-[1-[(3aS,5R,6S,6aS)-2,2-dimethyl-6-prop-2-enoyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-acetyloxy-ethoxy]-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C26H34N2O13S
MOLECULAR WEIGHT: 614.61876
SMILES: CC(=O)OCC([C@@H]1[C@@H]([C@H]2[C@@H](O1)OC(O2)(C)C)OC(=O)C=C)OC(=O)CCC(=O)N[C@H]3C4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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Product OPENEYE NAME: 1-[3-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[3-(6-fluoro-1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[3-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[3-(6-fluoranyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C20H21FN4O4
MOLECULAR WEIGHT: 400.403543
SMILES: C1=CC(=CC(=C1)NC(=O)NCCCCCC(=O)NO)C2=NC3=C(O2)C=C(C=C3)F
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Product OPENEYE NAME: 1-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]-3-[6-(hydroxyamino)-6-oxo-hexyl]urea
CAS Name: 6-[[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxyanilino]-oxomethyl]amino]-N-hydroxyhexanamide
IUPAC NAME: 6-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamoylamino]-N-hydroxyhexanamide
SYSTEMATIC NAME: 6-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamoylamino]-N-oxidanyl-hexanamide
MOLECULAR FORMULA: C21H23ClN4O5
MOLECULAR WEIGHT: 446.88412
SMILES: COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)NCCCCCC(=O)NO
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