 | | BA7 | | Name: | [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate | | Formula: | C22 H27 N5 O15 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](OC(=O)c5ccccc5)[CH]4O)[CH](O)[CH]3O | | InChi: | InChI=1S/C22H27N5O15P2/c23-18-13-19(25-8-24-18)27(9-26-13)20-16(30)14(28)11(39-20)6-37-43(33,34)42-44(35,36)38-7-12-15(29)17(22(32)40-12)41-21(31)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-17,20,22,28-30,32H,6-7H2,(H,33,34)(H,35,36)(H2,23,24,25)/t11-,12-,14-,15-,16-,17-,20-,22-/m1/s1 | | Definition date: | 2021-06-26 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate |
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 | | LF6 | | Name: | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol | | Formula: | C9 H15 N3 O S | | SMILES: | CC1=NC(=NC2CCCC2CO)SN1 | | InChi: | InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1 | | Definition date: | 2022-03-04 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol |
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 | | LFO | | Name: | N,1-dimethyl-1H-indole-3-carboxamide | | Formula: | C11 H12 N2 O | | SMILES: | CNC(=O)c1cn(C)c2ccccc21 | | InChi: | InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14) | | Definition date: | 2022-03-04 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N,1-dimethyl-1H-indole-3-carboxamide |
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 | | E6K | | Name: | 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid | | Formula: | C19 H17 N O8 S | | SMILES: | O=C(O)CCCCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | | InChi: | InChI=1S/C19H17NO8S/c21-14(22)7-3-4-8-20-29(27,28)13-9-12-15(19(26)18(13)25)17(24)11-6-2-1-5-10(11)16(12)23/h1-2,5-6,9,20,25-26H,3-4,7-8H2,(H,21,22) | | Definition date: | 2021-12-02 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 5-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)amino]pentanoic acid |
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 | | E84 | | Name: | 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate | | Formula: | C19 H27 N O3 | | SMILES: | O=C(OCCN1CCOCC1)C2(CCCCC2)c3ccccc3 | | InChi: | InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2 | | Synonyms: | PRE-084 | | Definition date: | 2020-12-10 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 2-morpholin-4-ylethyl 1-phenylcyclohexane-1-carboxylate |
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 | | GEU | | Name: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione | | Formula: | C22 H19 Cl N4 O4 | | SMILES: | CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C | | InChi: | InChI=1S/C22H19ClN4O4/c1-11-15(19(28)18-12(2)24-26(4)20(18)29)8-9-16-17(11)21(30)27(22(31)25(16)3)14-7-5-6-13(23)10-14/h5-10,24H,1-4H3 | | Definition date: | 2020-08-26 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
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 | | GJL | | Name: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one | | Formula: | C16 H17 N3 O5 S | | SMILES: | CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[S](C)(=O)=O | | InChi: | InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3 | | Definition date: | 2020-08-31 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one |
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 | | I7K | | Name: | 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid | | Formula: | C20 H17 N O8 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCC(CC1)C(=O)O | | InChi: | InChI=1S/C20H17NO8S/c22-16-11-3-1-2-4-12(11)17(23)15-13(16)9-14(18(24)19(15)25)30(28,29)21-7-5-10(6-8-21)20(26)27/h1-4,9-10,24-25H,5-8H2,(H,26,27) | | Definition date: | 2022-01-20 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid |
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 | | I7N | | Name: | N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid | | Formula: | C24 H22 N2 O11 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)NC(CC(=O)O)C(=O)O | | InChi: | InChI=1S/C24H22N2O11S/c27-17(28)9-15(24(34)35)25-23(33)11-4-3-7-26(10-11)38(36,37)16-8-14-18(22(32)21(16)31)20(30)13-6-2-1-5-12(13)19(14)29/h1-2,5-6,8,11,15,31-32H,3-4,7,9-10H2,(H,25,33)(H,27,28)(H,34,35)/t11-,15+/m1/s1 | | Definition date: | 2022-01-21 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid |
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 | | I7V | | Name: | (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid | | Formula: | C20 H17 N O8 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)O | | InChi: | InChI=1S/C20H17NO8S/c22-16-11-5-1-2-6-12(11)17(23)15-13(16)8-14(18(24)19(15)25)30(28,29)21-7-3-4-10(9-21)20(26)27/h1-2,5-6,8,10,24-25H,3-4,7,9H2,(H,26,27)/t10-/m1/s1 | | Definition date: | 2022-01-21 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid |
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 | | I8Q | | Name: | 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid | | Formula: | C14 H9 N O6 S | | SMILES: | O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O | | InChi: | InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21) | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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 | | I8U | | Name: | 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid | | Formula: | C14 H8 O6 S | | SMILES: | O=S(=O)(O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O | | InChi: | InChI=1S/C14H8O6S/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,15H,(H,18,19,20) | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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 | | I8Y | | Name: | 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid | | Formula: | C14 H9 N O6 S | | SMILES: | O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N | | InChi: | InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21) | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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 | | I91 | | Name: | N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine | | Formula: | C16 H11 N O7 S | | SMILES: | O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O | | InChi: | InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20) | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine |
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 | | I99 | | Name: | (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid | | Formula: | C20 H17 N O7 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O | | InChi: | InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1 | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid |
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 | | I9C | | Name: | methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate | | Formula: | C17 H13 N O7 S | | SMILES: | O=C(OC)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O | | InChi: | InChI=1S/C17H13NO7S/c1-25-15(20)8-18-26(23,24)14-7-12-11(6-13(14)19)16(21)9-4-2-3-5-10(9)17(12)22/h2-7,18-19H,8H2,1H3 | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate |
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 | | I9F | | Name: | dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate | | Formula: | C26 H26 N2 O11 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC | | InChi: | InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1 | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate |
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 | | I9K | | Name: | (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid | | Formula: | C24 H22 N2 O11 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)O)C(=O)O | | InChi: | InChI=1S/C24H22N2O11S/c27-17-9-15-16(22(32)14-4-2-1-3-13(14)21(15)31)10-18(17)38(36,37)26-7-5-25(6-8-26)19(28)11-24(35,23(33)34)12-20(29)30/h1-4,9-10,27,35H,5-8,11-12H2,(H,29,30)(H,33,34)/t24-/m1/s1 | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid |
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 | | I9N | | Name: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione | | Formula: | C18 H16 N2 O6 S | | SMILES: | O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1 | | InChi: | InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2 | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione |
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 | | I9Q | | Name: | N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine | | Formula: | C17 H13 N O8 S | | SMILES: | O=C(O)CCNS(=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O | | InChi: | InChI=1S/C17H13NO8S/c19-12(20)5-6-18-27(25,26)11-7-10-13(17(24)16(11)23)15(22)9-4-2-1-3-8(9)14(10)21/h1-4,7,18,23-24H,5-6H2,(H,19,20) | | Definition date: | 2022-01-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)-beta-alanine |
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 | | 6RI | | Name: | N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide | | Formula: | C23 H18 F4 N2 O3 | | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1cnc(cc1CO)C(F)(F)F | | InChi: | InChI=1S/C23H18F4N2O3/c24-17-5-7-18(8-6-17)29-21(31)22(12-32-13-22)16-3-1-14(2-4-16)19-10-28-20(23(25,26)27)9-15(19)11-30/h1-10,30H,11-13H2,(H,29,31) | | Definition date: | 2021-08-10 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide |
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 | | 6ZI | | Name: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide | | Formula: | C24 H21 F N2 O2 | | SMILES: | O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1 | | InChi: | InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28) | | Definition date: | 2021-08-10 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide |
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 | | 7SE | | Name: | (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione | | Formula: | C11 H10 N4 O2 | | SMILES: | O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1 | | InChi: | InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1 | | Definition date: | 2021-08-24 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione |
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 | | 811 | | Name: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid | | Formula: | C28 H22 Cl3 N3 O5 | | SMILES: | OC(=O)c1ccnc(c1)N2CC(O)(C2)c3ccc(OCc4c(onc4c5c(Cl)cccc5Cl)C6CC6)cc3Cl | | InChi: | InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36) | | Synonyms: | Cilofexor | | Definition date: | 2021-11-10 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid |
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 | | 88E | | Name: | 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine | | Formula: | C20 H23 N3 O2 | | SMILES: | Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3 | | InChi: | InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | | Synonyms: | S1RA | | Definition date: | 2021-11-29 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine |
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