| 4OW | Name: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide | Formula: | C27 H34 Cl F N6 O2 S | SMILES: | CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(C)cn2)cc1F | InChi: | InChI=1S/C27H34ClFN6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33) | Definition date: | 2021-07-13 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide |
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| HS0 | Name: | 6-bromanyl-1~{H}-indazol-4-amine | Formula: | C7 H6 Br N3 | SMILES: | Nc1cc(Br)cc2[nH]ncc12 | InChi: | InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11) | Definition date: | 2021-01-29 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-bromanyl-1~{H}-indazol-4-amine |
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| HU0 | Name: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol | Formula: | C14 H12 Br N3 O | SMILES: | Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 | InChi: | InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18) | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol |
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| HU3 | Name: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m1/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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| HU6 | Name: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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| HU9 | Name: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol | Formula: | C14 H18 Br N3 O | SMILES: | O[CH]1CCCC[CH]1CNc2c(Br)ccc3[nH]ncc23 | InChi: | InChI=1S/C14H18BrN3O/c15-11-5-6-12-10(8-17-18-12)14(11)16-7-9-3-1-2-4-13(9)19/h5-6,8-9,13,16,19H,1-4,7H2,(H,17,18)/t9-,13+/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol |
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| HUC | Name: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine | Formula: | C14 H17 Br Cl N3 | SMILES: | Cl[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23 | InChi: | InChI=1S/C14H17BrClN3/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h5-6,8-9,12,17H,1-4,7H2,(H,18,19)/t9-,12-/m0/s1 | Definition date: | 2021-02-01 | Last modified: | 2021-07-16 | Release date: | 2021-07-21 | Identifier: | 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine |
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| L9K | Name: | (~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine | Formula: | C21 H17 N5 O3 S | SMILES: | C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25 | InChi: | InChI=1S/C21H17N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-10,12-13H,11H2,1H3,(H,22,23) | Definition date: | 2019-08-01 | Last modified: | 2021-07-12 | Release date: | 2019-09-25 | Identifier: | (~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine |
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| Z3D | Name: | (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside | Formula: | C13 H25 N O9 | SMILES: | OCC1CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C13H25NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h4-13,15-21H,1-3,14H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-,13-/m1/s1 | Definition date: | 2021-04-07 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside |
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| VEH | Name: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide | Formula: | C29 H37 N7 O4 S2 | SMILES: | CN[S](=O)(=O)c1cc(cc2CN([CH](C)C3CC3)C(=O)c12)c4sc(Nc5cccc(n5)C(=O)NCCCN(C)C)nc4C | InChi: | InChI=1S/C29H37N7O4S2/c1-17-26(41-29(32-17)34-24-9-6-8-22(33-24)27(37)31-12-7-13-35(4)5)20-14-21-16-36(18(2)19-10-11-19)28(38)25(21)23(15-20)42(39,40)30-3/h6,8-9,14-15,18-19,30H,7,10-13,16H2,1-5H3,(H,31,37)(H,32,33,34)/t18-/m0/s1 | Definition date: | 2021-05-11 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 6-[[5-[2-[(1~{S})-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]pyridine-2-carboxamide |
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| VEN | Name: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one | Formula: | C27 H29 N5 O4 S2 | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](C)(=O)=O)c4sc(Nc5cccc(n5)N6CCCC6=O)nc4C | InChi: | InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1 | Synonyms: | 141754136 | Definition date: | 2021-05-11 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 2-[(1~{S})-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3~{H}-isoindol-1-one |
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| VEQ | Name: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | Formula: | C28 H33 N5 O4 S2 | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O)Nc4ccc(CN(C)C)cc4)c5sc(NC(C)=O)nc5C | InChi: | InChI=1S/C28H33N5O4S2/c1-16-26(38-28(29-16)30-18(3)34)21-12-22-15-33(17(2)20-8-9-20)27(35)25(22)24(13-21)39(36,37)31-23-10-6-19(7-11-23)14-32(4)5/h6-7,10-13,17,20,31H,8-9,14-15H2,1-5H3,(H,29,30,34)/t17-/m0/s1 | Definition date: | 2021-05-11 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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| VEW | Name: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | Formula: | C26 H28 N4 O6 S3 | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](=O)(=O)Nc4cccc(c4)[S](C)(=O)=O)c5sc(NC(C)=O)nc5C | InChi: | InChI=1S/C26H28N4O6S3/c1-14-24(37-26(27-14)28-16(3)31)18-10-19-13-30(15(2)17-8-9-17)25(32)23(19)22(11-18)39(35,36)29-20-6-5-7-21(12-20)38(4,33)34/h5-7,10-12,15,17,29H,8-9,13H2,1-4H3,(H,27,28,31)/t15-/m0/s1 | Definition date: | 2021-05-12 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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| WBY | Name: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione | Formula: | C6 H5 N3 O3 S | SMILES: | Cc2nc1c(C(N(C(N1)=O)O)=O)s2 | InChi: | InChI=1S/C6H5N3O3S/c1-2-7-4-3(13-2)5(10)9(12)6(11)8-4/h12H,1H3,(H,8,11) | Definition date: | 2020-10-12 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
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| U7Z | Name: | 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide | Formula: | C18 H18 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl | InChi: | InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26) | Synonyms: | 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative | Definition date: | 2021-01-28 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide |
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| ZRD | Name: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | Formula: | C13 H13 F N6 S2 | SMILES: | Fc1cnc(nc1)N1CC2(N=C(N)SCC2C1)c1ccns1 | InChi: | InChI=1S/C13H13FN6S2/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10/h1-4,8H,5-7H2,(H2,15,19)/t8-,13-/m0/s1 | Definition date: | 2021-05-25 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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| YOJ | Name: | 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid | Formula: | C33 H25 F2 N7 O7 S2 | SMILES: | O=C(O)c1nn[NH]c1Oc1ccc(cc1)c1cc(ccc1F)c1nn(c2nc(cs2)C(=O)O)c(CC2CC2)c1Cc1ccc(c(F)c1)S(N)(=O)=O | InChi: | InChI=1S/C33H25F2N7O7S2/c34-23-9-6-19(14-21(23)18-4-7-20(8-5-18)49-30-29(32(45)46)38-41-39-30)28-22(11-17-3-10-27(24(35)12-17)51(36,47)48)26(13-16-1-2-16)42(40-28)33-37-25(15-50-33)31(43)44/h3-10,12,14-16H,1-2,11,13H2,(H,43,44)(H,45,46)(H2,36,47,48)(H,38,39,41) | Definition date: | 2021-03-17 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid |
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| ZD1 | Name: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside | Formula: | C13 H23 N O9 | SMILES: | OCC1=CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C13H23NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h1,5-13,15-21H,2-3,14H2/t5-,6+,7-,8+,9-,10+,11+,12+,13+/m0/s1 | Definition date: | 2021-04-14 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
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| XWV | Name: | 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline | Formula: | C22 H25 N5 O2 S | SMILES: | C1(N(CCOC1)c5cc(C2(CC2)S(C)(=N)=O)nc(c4cccc3c4ccnc3)n5)C | InChi: | InChI=1S/C22H25N5O2S/c1-15-14-29-11-10-27(15)20-12-19(22(7-8-22)30(2,23)28)25-21(26-20)18-5-3-4-16-13-24-9-6-17(16)18/h3-6,9,12-13,15,23H,7-8,10-11,14H2,1-2H3/t15-,30-/m1/s1 | Definition date: | 2021-01-18 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline |
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| XWY | Name: | (3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine | Formula: | C23 H26 N4 O2 S | SMILES: | C5(N(c4cc(C1(CC1)S(C)(=N)=O)nc(c3cccc2c3cccc2)n4)CCOC5)C | InChi: | InChI=1S/C23H26N4O2S/c1-16-15-29-13-12-27(16)21-14-20(23(10-11-23)30(2,24)28)25-22(26-21)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,14,16,24H,10-13,15H2,1-2H3/t16-,30-/m1/s1 | Definition date: | 2021-01-18 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | (3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine |
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| ZGM | Name: | (4S)-4-hydroxy-2-oxoheptanedioic acid | Formula: | C7 H10 O6 | SMILES: | O=C(CC(O)CCC(O)=O)C(=O)O | InChi: | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1 | Definition date: | 2021-04-20 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | (4S)-4-hydroxy-2-oxoheptanedioic acid |
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| V6M | Name: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid | Formula: | C16 H13 N O2 | SMILES: | c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O | InChi: | InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19) | Definition date: | 2020-07-09 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid |
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| XXV | Name: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide | Formula: | C19 H22 N6 O3 S | SMILES: | C1(N(CCOC1)c5cc(C2(CC2)S(N)(=O)=O)nc(c4ccnc3c4ccn3)n5)C | InChi: | InChI=1S/C19H22N6O3S/c1-12-11-28-9-8-25(12)16-10-15(19(4-5-19)29(20,26)27)23-18(24-16)14-3-7-22-17-13(14)2-6-21-17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,22)(H2,20,26,27)/t12-/m1/s1 | Definition date: | 2021-01-18 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide |
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| V6P | Name: | 3-phenoxyphenol | Formula: | C12 H10 O2 | SMILES: | c1c(cccc1O)Oc2ccccc2 | InChi: | InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H | Definition date: | 2020-07-09 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 3-phenoxyphenol |
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| V6S | Name: | 4-(3-hydroxyphenoxy)benzoic acid | Formula: | C13 H10 O4 | SMILES: | c1c(cc(cc1)Oc2ccc(cc2)C(O)=O)O | InChi: | InChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16) | Definition date: | 2020-07-09 | Last modified: | 2021-07-09 | Release date: | 2021-07-14 | Identifier: | 4-(3-hydroxyphenoxy)benzoic acid |
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