 | | L5G | | Name: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline | | Formula: | C22 H17 N5 O2 | | SMILES: | n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5ccccc5 | | InChi: | InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | | Definition date: | 2008-03-02 | | Last modified: | 2011-06-04 | | Identifier: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline |
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 | | 7HA | | Name: | N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine | | Formula: | C22 H21 Cl N2 O6 | | SMILES: | O=C(OC)N(CC(=O)O)Cc3cc(OCc1nc(oc1C)c2ccc(Cl)cc2)ccc3 | | InChi: | InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | | Definition date: | 2009-10-28 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)-N-(methoxycarbonyl)glycine |
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 | | JW5 | | Name: | 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE) | | Formula: | C10 H15 N2 O10 P | | SMILES: | O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O10P/c13-2-4-1-6(14)11-10(17)12(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,13,15-16H,2-3H2,(H,11,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1 | | Definition date: | 2007-06-29 | | Last modified: | 2011-06-04 | | Identifier: | 6-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) |
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 | | L64 | | Name: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea | | Formula: | C32 H32 N10 O3 | | SMILES: | O=C(c1cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O)Nc4ccncc4)cc5)N6CCOCC6)CC7 | | InChi: | InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44) | | Definition date: | 2009-07-17 | | Last modified: | 2011-06-04 | | Identifier: | 1-(4-{4-(morpholin-4-yl)-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea |
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 | | L79 | | Name: | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | | Formula: | C25 H30 O3 | | SMILES: | O=C(O)C=CC3OC4C=CC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)C4C3 | | InChi: | InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h5-11,14,17,19,22H,12-13,15H2,1-4H3,(H,26,27)/b11-9+/t17-,19?,22?/m1/s1 | | Definition date: | 2003-12-09 | | Last modified: | 2011-06-04 | | Identifier: | (2E)-3-[(2S,3aR,7aS)-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,3,3a,7a-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid |
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 | | 7X4 | | Name: | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide | | Formula: | C17 H14 Cl N5 O4 S | | SMILES: | O=S(=O)(N)c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34 | | InChi: | InChI=1S/C17H14ClN5O4S/c18-12-4-5-13-16(27-9-26-13)15(12)22-14-6-7-20-17(23-14)21-10-2-1-3-11(8-10)28(19,24)25/h1-8H,9H2,(H2,19,24,25)(H2,20,21,22,23) | | Definition date: | 2008-06-27 | | Last modified: | 2011-06-04 | | Identifier: | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide |
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 | | 7X5 | | Name: | N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine | | Formula: | C18 H15 Cl N4 O4 S | | SMILES: | O=S(=O)(c1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C | | InChi: | InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23) | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine |
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 | | 7X6 | | Name: | N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | | Formula: | C18 H16 Cl N5 O4 S | | SMILES: | O=S(=O)(Nc1cccc(c1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34)C | | InChi: | InChI=1S/C18H16ClN5O4S/c1-29(25,26)24-12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)28-10-27-14/h2-9,24H,10H2,1H3,(H2,20,21,22,23) | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N-[3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)phenyl]methanesulfonamide |
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 | | 7X7 | | Name: | N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | | Formula: | C21 H20 Cl N5 O3 | | SMILES: | Clc2ccc1OCOc1c2Nc3nc(ncc3)Nc5cc(N4CCOCC4)ccc5 | | InChi: | InChI=1S/C21H20ClN5O3/c22-16-4-5-17-20(30-13-29-17)19(16)25-18-6-7-23-21(26-18)24-14-2-1-3-15(12-14)27-8-10-28-11-9-27/h1-7,12H,8-11,13H2,(H2,23,24,25,26) | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N~4~-(5-chloro-1,3-benzodioxol-4-yl)-N~2~-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine |
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 | | 7X8 | | Name: | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | | Formula: | C18 H14 Cl N5 O3 | | SMILES: | O=C(N)c1cc(ccc1)Nc2nccc(n2)Nc3c(Cl)ccc4OCOc34 | | InChi: | InChI=1S/C18H14ClN5O3/c19-12-4-5-13-16(27-9-26-13)15(12)23-14-6-7-21-18(24-14)22-11-3-1-2-10(8-11)17(20)25/h1-8H,9H2,(H2,20,25)(H2,21,22,23,24) | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzamide |
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 | | L85 | | Name: | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid | | Formula: | C12 H10 N2 O4 S | | SMILES: | O=S(=O)(O)c2ccc(/N=N/c1ccc(O)cc1)cc2 | | InChi: | InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)/b14-13+ | | Definition date: | 2011-01-10 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid |
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 | | 7XY | | Name: | {(3-CHLOROBENZYL)[(5-{[(3,3-DIPHENYLPROPYL)AMINO]SULFONYL}-2-THIENYL)METHYL]AMINO}(OXO)ACETIC ACID | | Formula: | C29 H27 Cl N2 O5 S2 | | SMILES: | O=S(=O)(c1sc(cc1)CN(C(=O)C(=O)O)Cc2cccc(Cl)c2)NCCC(c3ccccc3)c4ccccc4 | | InChi: | InChI=1S/C29H27ClN2O5S2/c30-24-13-7-8-21(18-24)19-32(28(33)29(34)35)20-25-14-15-27(38-25)39(36,37)31-17-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,18,26,31H,16-17,19-20H2,(H,34,35) | | Definition date: | 2007-03-26 | | Last modified: | 2011-06-04 | | Identifier: | [(3-chlorobenzyl)({5-[(3,3-diphenylpropyl)sulfamoyl]thiophen-2-yl}methyl)amino](oxo)acetic acid |
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 | | L8V | | Name: | 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide | | Formula: | C23 H16 F3 N5 O2 | | SMILES: | Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F)cc2F)ccn1 | | InChi: | InChI=1S/C23H16F3N5O2/c24-13-3-5-19(17(25)10-13)31-23(32)16-2-1-8-29-22(16)30-14-4-6-20(18(26)11-14)33-15-7-9-28-21(27)12-15/h1-12H,(H2,27,28)(H,29,30)(H,31,32) | | Definition date: | 2010-01-12 | | Last modified: | 2011-06-04 | | Identifier: | 2-[[4-(2-azanylpyridin-4-yl)oxy-3-fluoro-phenyl]amino]-N-(2,4-difluorophenyl)pyridine-3-carboxamide |
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 | | JZ6 | | Name: | 4-chloro-1H-pyrazole | | Formula: | C3 H3 Cl N2 | | SMILES: | Clc1c[nH]nc1 | | InChi: | InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) | | Definition date: | 2009-06-16 | | Last modified: | 2011-06-04 | | Identifier: | 4-chloro-1H-pyrazole |
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 | | JZ8 | | Name: | 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium | | Formula: | C16 H15 N5 | | SMILES: | n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C | | InChi: | InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2 | | Definition date: | 2009-07-17 | | Last modified: | 2011-06-04 | | Identifier: | 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium |
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 | | JZB | | Name: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] | | Formula: | C24 H29 Cl N2 O6 | | SMILES: | O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl | | InChi: | InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17- | | Definition date: | 2009-08-14 | | Last modified: | 2011-06-04 | | Identifier: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one |
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 | | JZC | | Name: | (5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] | | Formula: | C24 H30 N2 O6 | | SMILES: | O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3cc(O)cc(O)c23 | | InChi: | InChI=1S/C24H30N2O6/c27-20-15-18-14-19(25-32-17-22(29)26-11-7-5-8-12-26)10-6-3-1-2-4-9-13-31-24(30)23(18)21(28)16-20/h2,4,6,10,15-16,27-28H,1,3,5,7-9,11-14,17H2/b4-2+,10-6+,25-19- | | Definition date: | 2009-08-14 | | Last modified: | 2011-06-04 | | Identifier: | (5E,9E,11E)-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one |
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 | | JZH | | Name: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one | | Formula: | C21 H15 N3 O2 | | SMILES: | O=C5Nc1ccccc1c2c3c(ncc2)ncc3C5c4ccc(O)cc4 | | InChi: | InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)/t18-/m0/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one |
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 | | JZI | | Name: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid | | Formula: | C22 H19 N O3 | | SMILES: | O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)CC=Cc3ccccc3 | | InChi: | InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid |
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 | | JZJ | | Name: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline | | Formula: | C18 H16 Br N3 | | SMILES: | Brc1ccc(cc1)c2nc(nc2)C4NCc3ccccc3C4 | | InChi: | InChI=1S/C18H16BrN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,11,16,20H,9-10H2,(H,21,22)/t16-/m0/s1 | | Definition date: | 2009-10-05 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline |
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 | | JZM | | Name: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine | | Formula: | C14 H11 Cl N4 S | | SMILES: | Clc3ccc(Sc2c1c(nc(nc1N)N)ccc2)cc3 | | InChi: | InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | | Definition date: | 2009-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine |
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 | | JZN | | Name: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide | | Formula: | C34 H37 F4 N5 O4 | | SMILES: | Fc1cc(c(OC)cc1)C(C)(C)CC(O)(C(F)(F)F)CNc2cc(cc3c2cnn3c5cc(C(=O)N4C(C(=O)N)CCC4)ccc5)C | | InChi: | InChI=1S/C34H37F4N5O4/c1-20-13-26(40-19-33(46,34(36,37)38)18-32(2,3)25-16-22(35)10-11-29(25)47-4)24-17-41-43(28(24)14-20)23-8-5-7-21(15-23)31(45)42-12-6-9-27(42)30(39)44/h5,7-8,10-11,13-17,27,40,46H,6,9,12,18-19H2,1-4H3,(H2,39,44)/t27-,33-/m1/s1 | | Definition date: | 2009-10-19 | | Last modified: | 2011-06-04 | | Identifier: | 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide |
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 | | L9G | | Name: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide | | Formula: | C22 H18 F2 N4 O | | SMILES: | Fc1ccc(c(F)c1)CCc3ccc4nnc(c2cc(C(=O)N)ccc2C)n4c3 | | InChi: | InChI=1S/C22H18F2N4O/c1-13-2-5-16(21(25)29)10-18(13)22-27-26-20-9-4-14(12-28(20)22)3-6-15-7-8-17(23)11-19(15)24/h2,4-5,7-12H,3,6H2,1H3,(H2,25,29) | | Definition date: | 2009-10-28 | | Last modified: | 2011-06-04 | | Identifier: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide |
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 | | JZO | | Name: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one | | Formula: | C21 H20 N4 O2 | | SMILES: | O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c4cccc(c4)COC | | InChi: | InChI=1S/C21H20N4O2/c1-24-20(16-7-8-17-18(12-16)23-10-9-22-17)19(21(26)25(24)2)15-6-4-5-14(11-15)13-27-3/h4-12H,13H2,1-3H3 | | Definition date: | 2009-10-22 | | Last modified: | 2011-06-04 | | Identifier: | 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-(quinoxalin-6-yl)-1,2-dihydro-3H-pyrazol-3-one |
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 | | JZS | | Name: | N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide | | Formula: | C22 H21 F6 N5 O3 | | SMILES: | C[CH](NC(=O)c1cccc(c1)n2ncc3c(NCC(O)(C(F)(F)F)C(F)(F)F)cc(C)cc23)C(N)=O | | InChi: | InChI=1S/C22H21F6N5O3/c1-11-6-16(30-10-20(36,21(23,24)25)22(26,27)28)15-9-31-33(17(15)7-11)14-5-3-4-13(8-14)19(35)32-12(2)18(29)34/h3-9,12,30,36H,10H2,1-2H3,(H2,29,34)(H,32,35)/t12-/m1/s1 | | Definition date: | 2009-11-11 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2R)-1-azanyl-1-oxo-propan-2-yl]-3-[6-methyl-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]indazol-1-yl]benzamide |
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