Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[1-(2-methoxyethyl)-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CAS Name: N-[1-(2-methoxyethyl)-2-oxo-5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide
IUPAC NAME: N-[1-(2-methoxyethyl)-2-oxo-5-(1H-pyrazol-5-yl)pyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-[1-(2-methoxyethyl)-2-oxidanylidene-5-(1H-pyrazol-5-yl)pyridin-3-yl]-4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
MOLECULAR FORMULA: C23H26N8O4
MOLECULAR WEIGHT: 478.50374
SMILES: COCCN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5=CC=NN5
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Product OPENEYE NAME: 1-[3,5-di(isoxazol-3-yl)phenyl]-3-[(1R,3R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-3-hydroxy-1-methyl-propyl]urea
CAS Name: 1-[3,5-bis(3-isoxazolyl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-4-hydroxybutan-2-yl]urea
IUPAC NAME: 1-[3,5-bis(1,2-oxazol-3-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
SYSTEMATIC NAME: 1-[3,5-bis(1,2-oxazol-3-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-oxidanyl-butan-2-yl]urea
MOLECULAR FORMULA: C29H32FN5O4
MOLECULAR WEIGHT: 533.593883
SMILES: C[C@H](C[C@H](N1CCC[C@H](C1)CC2=CC=C(C=C2)F)O)NC(=O)NC3=CC(=CC(=C3)C4=NOC=C4)C5=NOC=C5
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Product OPENEYE NAME: 1-(3,5-diacetylphenyl)-3-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]urea
CAS Name: 1-(3,5-diacetylphenyl)-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]urea
IUPAC NAME: 1-(3,5-diacetylphenyl)-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
SYSTEMATIC NAME: 1-(3,5-diethanoylphenyl)-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
MOLECULAR FORMULA: C27H34FN3O3
MOLECULAR WEIGHT: 467.575563
SMILES: C[C@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC(=CC(=C3)C(=O)C)C(=O)C
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Product OPENEYE NAME: 1-[3,5-di(oxazol-2-yl)phenyl]-3-[(1R,3R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-3-hydroxy-1-methyl-propyl]urea
CAS Name: 1-[3,5-bis(2-oxazolyl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-4-hydroxybutan-2-yl]urea
IUPAC NAME: 1-[3,5-bis(1,3-oxazol-2-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]urea
SYSTEMATIC NAME: 1-[3,5-bis(1,3-oxazol-2-yl)phenyl]-3-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-oxidanyl-butan-2-yl]urea
MOLECULAR FORMULA: C29H32FN5O4
MOLECULAR WEIGHT: 533.593883
SMILES: C[C@H](C[C@H](N1CCC[C@H](C1)CC2=CC=C(C=C2)F)O)NC(=O)NC3=CC(=CC(=C3)C4=NC=CO4)C5=NC=CO5
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Product OPENEYE NAME: 2-[3-[[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]carbamoylamino]-5-(1-methyltetrazol-5-yl)phenyl]-2-methyl-propanoic acid
CAS Name: 2-[3-[[[[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]amino]-oxomethyl]amino]-5-(1-methyl-5-tetrazolyl)phenyl]-2-methylpropanoic acid
IUPAC NAME: 2-[3-[[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]carbamoylamino]-5-(1-methyltetrazol-5-yl)phenyl]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[3-[[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]carbamoylamino]-5-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C29H38FN7O3
MOLECULAR WEIGHT: 551.655523
SMILES: C[C@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC(=CC(=C3)C(C)(C)C(=O)O)C4=NN=NN4C
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Product OPENEYE NAME: (3S,4S)-4-benzyl-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-oxo-1-pentyl-pyrrolidine-3-carboxamide
CAS Name: (3S,4S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-5-oxo-1-pentyl-4-(phenylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-4-benzyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxidanylidene-1-pentyl-4-(phenylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C37H45F2N3O4
MOLECULAR WEIGHT: 633.767706
SMILES: CCCCCN1C[C@H]([C@@H](C1=O)CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC(=CC(=C3)F)F)[C@@H]([C@H]4C[C@H](CN4)OCC5=CC=CC=C5)O
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(hydroxymethyl)-2-imidazolyl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(hydroxymethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C29H30F4N4O4S
MOLECULAR WEIGHT: 606.631513
SMILES: CCS(=O)(=O)CCN([C@H](C)C1=NC(=C(N1C2=CC=C(C=C2)C#N)CO)C3CC3)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(fluoromethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(fluoromethyl)-2-imidazolyl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(fluoromethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-5-(fluoranylmethyl)imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C29H29F5N4O3S
MOLECULAR WEIGHT: 608.622576
SMILES: CCS(=O)(=O)CCN([C@H](C)C1=NC(=C(N1C2=CC=C(C=C2)C#N)CF)C3CC3)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: (E)-3-[2-methyl-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]-3H-pyridazin-4-yl]-1-phenyl-prop-2-en-1-one
CAS Name: (E)-3-[2-methyl-5-[(E)-3-oxo-3-phenylprop-1-enyl]-3H-pyridazin-4-yl]-1-phenyl-2-propen-1-one
IUPAC NAME: (E)-3-[2-methyl-5-[(E)-3-oxo-3-phenylprop-1-enyl]-3H-pyridazin-4-yl]-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[2-methyl-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]-3H-pyridazin-4-yl]-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: CN1CC(=C(C=N1)/C=C/C(=O)C2=CC=CC=C2)/C=C/C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N-cycloheptyl-piperazine-1-carboxamide
CAS Name: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-cycloheptyl-1-piperazinecarboxamide
IUPAC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cycloheptylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]-N-cycloheptyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C24H34FN5O4
MOLECULAR WEIGHT: 475.556263
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)NC4CCCCCC4)F
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Product OPENEYE NAME: (3S,4S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-4-isobutyl-5-oxo-1-pentyl-pyrrolidine-3-carboxamide
CAS Name: (3S,4S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-4-(2-methylpropyl)-5-oxo-1-pentyl-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-4-(2-methylpropyl)-5-oxo-1-pentylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-4-(2-methylpropyl)-5-oxidanylidene-1-pentyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C34H47F2N3O4
MOLECULAR WEIGHT: 599.751486
SMILES: CCCCCN1C[C@H]([C@@H](C1=O)CC(C)C)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCC4=CC=CC=C4)O
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Product OPENEYE NAME: 7-(2-aminothiazol-4-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CAS Name: 7-(2-amino-4-thiazolyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC NAME: 7-(2-amino-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: 7-(2-azanyl-1,3-thiazol-4-yl)-N-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanyl-3-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C18H17FN6O3S
MOLECULAR WEIGHT: 416.429383
SMILES: CN1CC(N2C(=C1O)C(=O)C(=N2)C(=O)NCC3=CC=C(C=C3)F)C4=CSC(=N4)N
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Product OPENEYE NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N-cyclopentyl-piperazine-1-carboxamide
CAS Name: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-cyclopentyl-1-piperazinecarboxamide
IUPAC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-cyclopentylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]-N-cyclopentyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C22H30FN5O4
MOLECULAR WEIGHT: 447.503103
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)NC4CCCC4)F
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Product OPENEYE NAME: (1R,4S,5S)-N-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-enyl]-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-acetyl]-6,6-dichloro-3-azabicyclo[3.1.0]hexane-4-carboxamide
CAS Name: (1R,4S,5S)-3-[(2S)-2-[[(tert-butylamino)-oxomethyl]amino]-2-cyclohexyl-1-oxoethyl]-6,6-dichloro-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
IUPAC NAME: (1R,4S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-6,6-dichloro-N-[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
SYSTEMATIC NAME: (1R,4S,5S)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-en-3-yl]-3-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexyl-ethanoyl]-6,6-bis(chloranyl)-3-azabicyclo[3.1.0]hexane-4-carboxamide
MOLECULAR FORMULA: C29H43Cl2N5O5
MOLECULAR WEIGHT: 612.58822
SMILES: CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CCC=C)C(=O)C(=O)NCC=C)C3(Cl)Cl
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazolidine
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carb
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5-dim
MOLECULAR FORMULA: C43H63N7O8S2
MOLECULAR WEIGHT: 870.13242
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)C)O)(C)C
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