Sunday, December 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C30H37N7O9
MOLECULAR WEIGHT: 639.65628
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)N
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Product OPENEYE NAME: (3S)-3-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-[[(1S)-2-[[(1S)-1-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
CAS Name: (3S)-3-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
IUPAC NAME: (3S)-3-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C18H31N5O10S
MOLECULAR WEIGHT: 509.53124
SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)N
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Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[3-fluoro-4-(1-piperidyl)phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[3-fluoro-4-(1-piperidinyl)phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-(3-fluoranyl-4-piperidin-1-yl-phenyl)-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C25H26FN3O2
MOLECULAR WEIGHT: 419.491243
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC(=C(C=C2)N3CCCCC3)F)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[2-fluoro-4-[4-(2-methylallyl)piperazin-1-yl]phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[2-fluoro-4-[4-(2-methylprop-2-enyl)-1-piperazinyl]phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[2-fluoro-4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[2-fluoranyl-4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C28H31FN4O2
MOLECULAR WEIGHT: 474.569743
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)CC(=C)C)F)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[2-fluoro-4-(1-piperidyl)phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[2-fluoro-4-(1-piperidinyl)phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-(2-fluoro-4-piperidin-1-ylphenyl)-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-(2-fluoranyl-4-piperidin-1-yl-phenyl)-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C25H26FN3O2
MOLECULAR WEIGHT: 419.491243
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=C(C=C(C=C2)N3CCCCC3)F)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[2-fluoro-4-(4-isobutylpiperazin-1-yl)phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[2-fluoro-4-[4-(2-methylpropyl)-1-piperazinyl]phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[2-fluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[2-fluoranyl-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C28H33FN4O2
MOLECULAR WEIGHT: 476.585623
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=C(C=C(C=C2)N3CCN(CC3)CC(C)C)F)C4=CC=CC=C4
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Product OPENEYE NAME: N-[4-[4-(4,6-dimethyl-2-pyridyl)piperazin-1-yl]phenyl]-2-[5-methyl-3-phenyl-1-(4-pyridylmethyl)pyrrol-2-yl]-2-oxo-acetamide
CAS Name: N-[4-[4-(4,6-dimethyl-2-pyridinyl)-1-piperazinyl]phenyl]-2-[5-methyl-3-phenyl-1-(pyridin-4-ylmethyl)-2-pyrrolyl]-2-oxoacetamide
IUPAC NAME: N-[4-[4-(4,6-dimethylpyridin-2-yl)piperazin-1-yl]phenyl]-2-[5-methyl-3-phenyl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]-2-oxoacetamide
SYSTEMATIC NAME: N-[4-[4-(4,6-dimethylpyridin-2-yl)piperazin-1-yl]phenyl]-2-[5-methyl-3-phenyl-1-(pyridin-4-ylmethyl)pyrrol-2-yl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C36H36N6O2
MOLECULAR WEIGHT: 584.71004
SMILES: CC1=CC(=NC(=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C(=O)C4=C(C=C(N4CC5=CC=NC=C5)C)C6=CC=CC=C6)C
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-6-[4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O4S
MOLECULAR WEIGHT: 528.54273
SMILES: COC1=CC=CC(=C1OCC2CC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OCC(F)(F)F
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Product OPENEYE NAME: 4-[4-[7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-5-oxo-thiazolo[3,2-a]pyrimidin-6-yl]phenoxy]butanenitrile
CAS Name: 4-[4-[7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-5-oxo-6-thiazolo[3,2-a]pyrimidinyl]phenoxy]butanenitrile
IUPAC NAME: 4-[4-[7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]phenoxy]butanenitrile
SYSTEMATIC NAME: 4-[4-[7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]phenoxy]butanenitrile
MOLECULAR FORMULA: C29H27N3O4S
MOLECULAR WEIGHT: 513.60738
SMILES: COC1=CC=CC(=C1OCC2CC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OCCCC#N
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(cyclopropylmethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(cyclopropylmethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(cyclopropylmethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C29H28N2O4S
MOLECULAR WEIGHT: 500.60862
SMILES: COC1=CC=CC(=C1OCC2CC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OCC6CC6
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(difluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(difluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 6-[4-[bis(fluoranyl)methoxy]phenyl]-7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C26H22F2N2O4S
MOLECULAR WEIGHT: 496.525686
SMILES: COC1=CC=CC(=C1OCC2CC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OC(F)F
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-fluoro-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-fluorophenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-fluorophenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C25H18F4N2O3S
MOLECULAR WEIGHT: 502.480633
SMILES: C1CC1COC2=C(C=CC=C2F)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OC(F)(F)F
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Product OPENEYE NAME: 1-[(6-bromo-3,4-dihydro-2H-carbazol-1-yl)amino]-1-phenyl-thiourea
CAS Name: 1-[(6-bromo-3,4-dihydro-2H-carbazol-1-yl)amino]-1-phenylthiourea
IUPAC NAME: 1-[(6-bromo-3,4-dihydro-2H-carbazol-1-yl)amino]-1-phenylthiourea
SYSTEMATIC NAME: 1-[(6-bromanyl-3,4-dihydro-2H-carbazol-1-yl)amino]-1-phenyl-thiourea
MOLECULAR FORMULA: C19H17BrN4S
MOLECULAR WEIGHT: 413.33408
SMILES: C1CC2=C3C=C(C=CC3=NC2=C(C1)NN(C4=CC=CC=C4)C(=S)N)Br
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Product OPENEYE NAME: 4-(3-methylanilino)-2-(4-phenyl-1-piperidyl)pyrimidine-5-carboxamide
CAS Name: 4-(3-methylanilino)-2-(4-phenyl-1-piperidinyl)-5-pyrimidinecarboxamide
IUPAC NAME: 4-(3-methylanilino)-2-(4-phenylpiperidin-1-yl)pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[(3-methylphenyl)amino]-2-(4-phenylpiperidin-1-yl)pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H25N5O
MOLECULAR WEIGHT: 387.4775
SMILES: CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)N3CCC(CC3)C4=CC=CC=C4
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Product OPENEYE NAME: 4-(3-methylanilino)-2-[4-[(1-methyl-4-piperidyl)methyl]piperazin-1-yl]pyrimidine-5-carboxamide
CAS Name: 4-(3-methylanilino)-2-[4-[(1-methyl-4-piperidinyl)methyl]-1-piperazinyl]-5-pyrimidinecarboxamide
IUPAC NAME: 4-(3-methylanilino)-2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 4-[(3-methylphenyl)amino]-2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C23H33N7O
MOLECULAR WEIGHT: 423.55442
SMILES: CC1=CC(=CC=C1)NC2=NC(=NC=C2C(=O)N)N3CCN(CC3)CC4CCN(CC4)C
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