 | | 9II | | Name: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C25 H20 N2 O6 | | SMILES: | COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(cc3)c4ccccc4)cc12 | | InChi: | InChI=1S/C25H20N2O6/c1-32-25-20-13-18(33-17-9-7-16(8-10-17)15-5-3-2-4-6-15)11-12-19(20)23(30)22(27-25)24(31)26-14-21(28)29/h2-13,30H,14H2,1H3,(H,26,31)(H,28,29) | | Definition date: | 2022-01-18 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 9IL | | Name: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C28 H24 N2 O7 | | SMILES: | COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4ccccc4)cc12 | | InChi: | InChI=1S/C28H24N2O7/c1-15-11-18(24(33)17-7-5-4-6-8-17)12-16(2)26(15)37-19-9-10-20-21(13-19)28(36-3)30-23(25(20)34)27(35)29-14-22(31)32/h4-13,34H,14H2,1-3H3,(H,29,35)(H,31,32) | | Definition date: | 2022-01-18 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 9IQ | | Name: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C31 H30 N2 O7 | | SMILES: | CCOc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(C)cc(C)c4)cc12 | | InChi: | InChI=1S/C31H30N2O7/c1-6-39-31-24-14-22(7-8-23(24)28(37)26(33-31)30(38)32-15-25(34)35)40-29-18(4)12-21(13-19(29)5)27(36)20-10-16(2)9-17(3)11-20/h7-14,37H,6,15H2,1-5H3,(H,32,38)(H,34,35) | | Definition date: | 2022-01-18 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 9IT | | Name: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C29 H26 N2 O7 | | SMILES: | COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cccc(C)c4)cc12 | | InChi: | InChI=1S/C29H26N2O7/c1-15-6-5-7-18(10-15)25(34)19-11-16(2)27(17(3)12-19)38-20-8-9-21-22(13-20)29(37-4)31-24(26(21)35)28(36)30-14-23(32)33/h5-13,35H,14H2,1-4H3,(H,30,36)(H,32,33) | | Definition date: | 2022-01-18 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 9IW | | Name: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C30 H27 F N2 O8 | | SMILES: | CCOc1nc(c(O)c2ccc(Oc3c(C)cc(cc3C)C(=O)c4cc(F)cc(OC)c4)cc12)C(=O)NCC(O)=O | | InChi: | InChI=1S/C30H27FN2O8/c1-5-40-30-23-13-20(6-7-22(23)27(37)25(33-30)29(38)32-14-24(34)35)41-28-15(2)8-17(9-16(28)3)26(36)18-10-19(31)12-21(11-18)39-4/h6-13,37H,5,14H2,1-4H3,(H,32,38)(H,34,35) | | Definition date: | 2022-01-18 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 2VI | | Name: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one | | Formula: | C23 H23 Cl F2 N2 O3 | | SMILES: | COCCCN1CCc2c(Cc3ccc(Cl)cc3)[nH]c4c(OC(F)F)ccc(C1=O)c24 | | InChi: | InChI=1S/C23H23ClF2N2O3/c1-30-12-2-10-28-11-9-16-18(13-14-3-5-15(24)6-4-14)27-21-19(31-23(25)26)8-7-17(20(16)21)22(28)29/h3-8,23,27H,2,9-13H2,1H3 | | Definition date: | 2021-07-09 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one |
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 | | NWO | | Name: | (1S,3S)-3-methylcyclohexan-1-ol | | Formula: | C7 H14 O | | SMILES: | CC1CC(O)CCC1 | | InChi: | InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 | | Definition date: | 2022-04-12 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (1S,3S)-3-methylcyclohexan-1-ol |
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 | | A0E | | Name: | methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate | | Formula: | C27 H30 F N7 O3 | | SMILES: | Fc1cc(c(OC)cc1)N1CCN(CC1)c1ncnc2c1cnn2c1ccccc1CNCCC(=O)OC | | InChi: | InChI=1S/C27H30FN7O3/c1-37-24-8-7-20(28)15-23(24)33-11-13-34(14-12-33)26-21-17-32-35(27(21)31-18-30-26)22-6-4-3-5-19(22)16-29-10-9-25(36)38-2/h3-8,15,17-18,29H,9-14,16H2,1-2H3 | | Definition date: | 2021-11-03 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate |
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 | | 5YM | | Name: | (Z)-N-(2-hydroxyethyl)octadec-9-enamide | | Formula: | C20 H39 N O2 | | SMILES: | CCCCCCCCC=CCCCCCCCC(=O)NCCO | | InChi: | InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9- | | Definition date: | 2021-08-25 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (~{Z})-~{N}-(2-hydroxyethyl)octadec-9-enamide |
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 | | PV9 | | Name: | Pitavastatin | | Formula: | C25 H24 F N O4 | | SMILES: | O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC1)c1ccc(F)cc1 | | InChi: | InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1 | | Synonyms: | (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | | Definition date: | 2022-04-27 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid |
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 | | 98U | | Name: | 3-O-acetyl-6-deoxy-alpha-L-galactopyranose | | Formula: | C8 H14 O6 | | SMILES: | OC1C(OC(=O)C)C(O)C(OC1C)O | | InChi: | InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1 | | Definition date: | 2018-02-02 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 3-O-acetyl-6-deoxy-alpha-L-galactopyranose |
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 | | 98X | | Name: | 2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid | | Formula: | C9 H10 O7 | | SMILES: | O=C(O)C1(OC2C(O1)C=C(C(=O)O)OC2)C | | InChi: | InChI=1S/C9H10O7/c1-9(8(12)13)15-4-2-5(7(10)11)14-3-6(4)16-9/h2,4,6H,3H2,1H3,(H,10,11)(H,12,13)/t4-,6-,9+/m0/s1 | | Definition date: | 2018-02-02 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid |
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 | | 9GC | | Name: | 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid | | Formula: | C26 H22 N2 O6 | | SMILES: | COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc12 | | InChi: | InChI=1S/C26H22N2O6/c1-33-26-21-14-19(11-12-20(21)24(31)23(28-26)25(32)27-15-22(29)30)34-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14,31H,13,15H2,1H3,(H,27,32)(H,29,30) | | Definition date: | 2022-01-14 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid |
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 | | 0B0 | | Name: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one | | Formula: | C22 H26 N6 O | | SMILES: | O=C1C(CCCN1C1CN(CCC1)c1ncnc2[NH]ccc21)Nc1ccccc1 | | InChi: | InChI=1S/C22H26N6O/c29-22-19(26-16-6-2-1-3-7-16)9-5-13-28(22)17-8-4-12-27(14-17)21-18-10-11-23-20(18)24-15-25-21/h1-3,6-7,10-11,15,17,19,26H,4-5,8-9,12-14H2,(H,23,24,25)/t17-,19-/m1/s1 | | Definition date: | 2021-06-07 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (3R,3'R)-3-anilino-1'-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)[1,3'-bipiperidin]-2-one |
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 | | 0B9 | | Name: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide | | Formula: | C22 H24 Cl F N6 O | | SMILES: | Fc1cc(cc(Cl)c1)NC(C1CC1)C(=O)NC1CCCN(C1)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C22H24ClFN6O/c23-14-8-15(24)10-17(9-14)28-19(13-3-4-13)22(31)29-16-2-1-7-30(11-16)21-18-5-6-25-20(18)26-12-27-21/h5-6,8-10,12-13,16,19,28H,1-4,7,11H2,(H,29,31)(H,25,26,27)/t16-,19-/m1/s1 | | Definition date: | 2021-06-07 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide |
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 | | 0BG | | Name: | N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide | | Formula: | C17 H20 N6 O | | SMILES: | O=C(CNc1ccccc1)NCCN(C)c1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C17H20N6O/c1-23(17-14-7-8-19-16(14)21-12-22-17)10-9-18-15(24)11-20-13-5-3-2-4-6-13/h2-8,12,20H,9-11H2,1H3,(H,18,24)(H,19,21,22) | | Definition date: | 2021-06-07 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | N-{2-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl}-N~2~-phenylglycinamide |
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 | | FDX | | Name: | (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid | | Formula: | C15 H25 N3 O6 S | | SMILES: | CN(C)C(=O)C1CC(SC2CC(N=C2C(=O)O)C(CO)C(O)O)CN1 | | InChi: | InChI=1S/C15H25N3O6S/c1-18(2)13(20)10-3-7(5-16-10)25-11-4-9(8(6-19)14(21)22)17-12(11)15(23)24/h7-11,14,16,19,21-22H,3-6H2,1-2H3,(H,23,24)/t7-,8-,9-,10-,11+/m1/s1 | | Definition date: | 2021-12-15 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (2R,4S)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S)-1,1,3-trihydroxypropan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
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 | | ESV | | Name: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine | | Formula: | C12 H17 N5 | | SMILES: | CCC(C)(C)N=C(NC#N)Nc1cccnc1 | | InChi: | InChI=1S/C12H17N5/c1-4-12(2,3)17-11(15-9-13)16-10-6-5-7-14-8-10/h5-8H,4H2,1-3H3,(H2,15,16,17) | | Synonyms: | P1075 | | Definition date: | 2022-04-22 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-yl-guanidine |
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 | | ETJ | | Name: | (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile | | Formula: | C16 H18 N2 O3 | | SMILES: | CC1(C)Oc2ccc(cc2[CH]([CH]1O)N3CCCC3=O)C#N | | InChi: | InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1 | | Synonyms: | Levcromakalim | | Definition date: | 2022-04-22 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | (3~{S},4~{R})-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile |
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 | | 2OI | | Name: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one | | Formula: | C19 H17 Cl N2 O2 | | SMILES: | COc1ccc2C(=O)NCCc3c(Cc4ccc(Cl)cc4)[nH]c1c23 | | InChi: | InChI=1S/C19H17ClN2O2/c1-24-16-7-6-14-17-13(8-9-21-19(14)23)15(22-18(16)17)10-11-2-4-12(20)5-3-11/h2-7,22H,8-10H2,1H3,(H,21,23) | | Definition date: | 2021-07-09 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one |
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 | | 5IH | | Name: | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one | | Formula: | C17 H21 N O3 | | SMILES: | CC1=C(C)c2ccc(OC[CH]3CCCNC3)cc2OC1=O | | InChi: | InChI=1S/C17H21NO3/c1-11-12(2)17(19)21-16-8-14(5-6-15(11)16)20-10-13-4-3-7-18-9-13/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3/t13-/m0/s1 | | Definition date: | 2021-07-12 | | Last modified: | 2022-05-13 | | Release date: | 2022-05-18 | | Identifier: | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one |
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 | | J66 | | Name: | 2-oxidanylisoindole-1,3-dione | | Formula: | C8 H5 N O3 | | SMILES: | ON1C(=O)c2ccccc2C1=O | | InChi: | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H | | Definition date: | 2021-04-13 | | Last modified: | 2022-05-06 | | Release date: | 2022-05-11 | | Identifier: | 2-oxidanylisoindole-1,3-dione |
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 | | J69 | | Name: | methyl 2-methylprop-2-enoate | | Formula: | C5 H8 O2 | | SMILES: | COC(=O)C(C)=C | | InChi: | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 | | Synonyms: | methyl methacrylate | | Definition date: | 2021-04-13 | | Last modified: | 2022-05-06 | | Release date: | 2022-05-11 | | Identifier: | methyl 2-methylprop-2-enoate |
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 | | ZM4 | | Name: | 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide | | Formula: | C24 H25 N5 O | | SMILES: | CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1C)c1ccc(cc1)C(N)=O | | InChi: | InChI=1S/C24H25N5O/c1-4-21-19(22(25)29-24(27)28-21)12-6-15(3)20-13-18(7-5-14(20)2)16-8-10-17(11-9-16)23(26)30/h5,7-11,13,15H,4H2,1-3H3,(H2,26,30)(H4,25,27,28,29)/t15-/m0/s1 | | Definition date: | 2021-05-06 | | Last modified: | 2022-05-06 | | Release date: | 2022-05-11 | | Identifier: | 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide |
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 | | ZM7 | | Name: | (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine | | Formula: | C17 H20 N2 S | | SMILES: | CN(C)C(C)CN1c2ccccc2Sc2ccccc12 | | InChi: | InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3/t13-/m1/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2022-05-06 | | Release date: | 2022-05-11 | | Identifier: | (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine |
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