![O5O O5O](https://data.pdbj.org/pdbjplus/data/cc/svg/O5O.svg) | O5O | Name: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide | Formula: | C34 H32 F3 N5 O2 | SMILES: | FC(F)(F)c1ccc(cc1)C(CCC)NC(=O)c1cccc2nc(c3cncc4ccccc43)n(c12)C1CC(C1)C(=O)NC | InChi: | InChI=1S/C34H32F3N5O2/c1-3-7-28(20-12-14-23(15-13-20)34(35,36)37)41-33(44)26-10-6-11-29-30(26)42(24-16-22(17-24)32(43)38-2)31(40-29)27-19-39-18-21-8-4-5-9-25(21)27/h4-6,8-15,18-19,22,24,28H,3,7,16-17H2,1-2H3,(H,38,43)(H,41,44)/t22-,24+,28-/m0/s1 | Definition date: | 2022-04-22 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide |
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![O69 O69](https://data.pdbj.org/pdbjplus/data/cc/svg/O69.svg) | O69 | Name: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide | Formula: | C35 H31 N5 O2 | SMILES: | CNC(=O)C1CC(C1)n1c2c(cccc2nc1c1cncc2ccccc21)C(=O)NC(C)c1cc2ccccc2cc1 | InChi: | InChI=1S/C35H31N5O2/c1-21(23-15-14-22-8-3-4-9-24(22)16-23)38-35(42)29-12-7-13-31-32(29)40(27-17-26(18-27)34(41)36-2)33(39-31)30-20-37-19-25-10-5-6-11-28(25)30/h3-16,19-21,26-27H,17-18H2,1-2H3,(H,36,41)(H,38,42)/t21-,26-,27+/m0/s1 | Definition date: | 2022-04-25 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide |
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![M5R M5R](https://data.pdbj.org/pdbjplus/data/cc/svg/M5R.svg) | M5R | Name: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione | Formula: | C17 H24 F N3 O4 S | SMILES: | O=C1CN(c2c(F)c3CC(NCCC(C)C)CCc3cc2O)S(=O)(=O)N1 | InChi: | InChI=1S/C17H24FN3O4S/c1-10(2)5-6-19-12-4-3-11-7-14(22)17(16(18)13(11)8-12)21-9-15(23)20-26(21,24)25/h7,10,12,19,22H,3-6,8-9H2,1-2H3,(H,20,23)/t12-/m1/s1 | Definition date: | 2022-03-14 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione |
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![7TK 7TK](https://data.pdbj.org/pdbjplus/data/cc/svg/7TK.svg) | 7TK | Name: | (3S)-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid | Formula: | C8 H14 N2 O3 | SMILES: | N[CH](CC(O)=O)C(=O)N1CCCC1 | InChi: | InChI=1S/C8H14N2O3/c9-6(5-7(11)12)8(13)10-3-1-2-4-10/h6H,1-5,9H2,(H,11,12)/t6-/m0/s1 | Definition date: | 2021-10-25 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | (3~{S})-3-azanyl-4-oxidanylidene-4-pyrrolidin-1-yl-butanoic acid |
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![PJI PJI](https://data.pdbj.org/pdbjplus/data/cc/svg/PJI.svg) | PJI | Name: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide | Formula: | C40 H57 Cl N3 O3 | SMILES: | CN1c2ccccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C | InChi: | InChI=1S/C40H56ClN3O3/c1-39(2)32-18-10-12-20-34(32)43(5)36(39)22-17-23-37-40(3,4)33-19-11-13-21-35(33)44(37)27-15-8-9-24-38(45)42-26-29-47-31-30-46-28-16-7-6-14-25-41/h10-13,17-23H,6-9,14-16,24-31H2,1-5H3/p+1 | Definition date: | 2022-10-04 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide |
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![J6F J6F](https://data.pdbj.org/pdbjplus/data/cc/svg/J6F.svg) | J6F | Name: | 7-hexyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione | Formula: | C12 H18 N4 O2 S | SMILES: | CCCCCCN1C(=S)NC2=C1C(=O)NC(=O)N2C | InChi: | InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-16-8-9(13-12(16)19)15(2)11(18)14-10(8)17/h3-7H2,1-2H3,(H,13,19)(H,14,17,18) | Definition date: | 2022-08-04 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | 7-hexyl-3-methyl-8-sulfanylidene-9~{H}-purine-2,6-dione |
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![JCO JCO](https://data.pdbj.org/pdbjplus/data/cc/svg/JCO.svg) | JCO | Name: | N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide | Formula: | C16 H22 N2 O3 S | SMILES: | CCN1C(=O)Cc2cc(N[S](=O)(=O)C3CCCCC3)ccc12 | InChi: | InChI=1S/C16H22N2O3S/c1-2-18-15-9-8-13(10-12(15)11-16(18)19)17-22(20,21)14-6-4-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3 | Synonyms: | N-(1-ethyl-2-oxoindolin-5-yl)cyclohexanesulfonamide | Definition date: | 2022-08-09 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | ~{N}-(1-ethyl-2-oxidanylidene-3~{H}-indol-5-yl)cyclohexanesulfonamide |
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![TXU TXU](https://data.pdbj.org/pdbjplus/data/cc/svg/TXU.svg) | TXU | Name: | N-methylmyosmine | Formula: | C10 H12 N2 | SMILES: | CN1CCC=C1c1cnccc1 | InChi: | InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3 | Definition date: | 2022-07-29 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | (3P)-3-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridine |
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![ULX ULX](https://data.pdbj.org/pdbjplus/data/cc/svg/ULX.svg) | ULX | Name: | [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol | Formula: | C29 H31 F3 N4 O3 | SMILES: | FC(F)(F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)cc1N(O)O | InChi: | InChI=1S/C29H31F3N4O3/c30-29(31,32)23-8-5-20(6-9-23)14-28(18-34-26-10-7-21(17-37)13-27(26)36(38)39)11-12-35(19-28)16-22-15-33-25-4-2-1-3-24(22)25/h1-10,13,15,33-34,37-39H,11-12,14,16-19H2/t28-/m0/s1 | Definition date: | 2022-08-23 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | [3-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol |
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![UMI UMI](https://data.pdbj.org/pdbjplus/data/cc/svg/UMI.svg) | UMI | Name: | [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol | Formula: | C29 H31 F3 N4 O3 | SMILES: | FC(F)(F)c1cccc(c1)CC1(CCN(Cc2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O | InChi: | InChI=1S/C29H31F3N4O3/c30-29(31,32)23-5-3-4-20(12-23)14-28(18-34-24-9-8-21(17-37)27(13-24)36(38)39)10-11-35(19-28)16-22-15-33-26-7-2-1-6-25(22)26/h1-9,12-13,15,33-34,37-39H,10-11,14,16-19H2/t28-/m0/s1 | Definition date: | 2022-08-23 | Last modified: | 2023-07-21 | Release date: | 2023-07-26 | Identifier: | [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol |
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![ZTV ZTV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZTV.svg) | ZTV | Name: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine | Formula: | C21 H26 N6 O2 | SMILES: | CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C | InChi: | InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1 | Definition date: | 2023-04-03 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine |
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![ZUO ZUO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZUO.svg) | ZUO | Name: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine | Formula: | C19 H25 N7 O2 | SMILES: | CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C | InChi: | InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1 | Definition date: | 2023-04-04 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine |
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![YC9 YC9](https://data.pdbj.org/pdbjplus/data/cc/svg/YC9.svg) | YC9 | Name: | [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | Formula: | C11 H17 N4 O5 P | SMILES: | O=P(O)(O)CCC(CO)NCc1c[NH]c2c1N=CNC2=O | InChi: | InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m1/s1 | Definition date: | 2023-01-24 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | [(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid |
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![YCE YCE](https://data.pdbj.org/pdbjplus/data/cc/svg/YCE.svg) | YCE | Name: | [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid | Formula: | C10 H15 N4 O5 P | SMILES: | O=P(O)(O)CC(O)CNCc1c[NH]c2c1N=CNC2=O | InChi: | InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1 | Definition date: | 2023-01-24 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | [(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid |
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![YWR YWR](https://data.pdbj.org/pdbjplus/data/cc/svg/YWR.svg) | YWR | Name: | K2[Ru2(DAniF)(CO3)3] | Formula: | C18 H16 N2 O11 Ru2 | SMILES: | COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45OC(=O)O[Ru]2(OC(=O)O4)OC(=O)O5 | InChi: | InChI=1S/C15H16N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13 | Definition date: | 2023-06-22 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 |
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![YJT YJT](https://data.pdbj.org/pdbjplus/data/cc/svg/YJT.svg) | YJT | Name: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one | Formula: | C14 H12 F2 N2 O5 Ru2 | SMILES: | O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4 | InChi: | InChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13 | Definition date: | 2023-06-19 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one |
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![YMQ YMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YMQ.svg) | YMQ | Name: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane | Formula: | C19 H24 N2 O6 Ru2 | SMILES: | COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5 | InChi: | InChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13 | Definition date: | 2023-06-19 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
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![VP9 VP9](https://data.pdbj.org/pdbjplus/data/cc/svg/VP9.svg) | VP9 | Name: | 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione | Formula: | C14 H13 N3 O5 | SMILES: | COc1ccc(N)c2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12 | InChi: | InChI=1S/C14H13N3O5/c1-22-8-4-2-6(15)10-11(8)14(21)17(13(10)20)7-3-5-9(18)16-12(7)19/h2,4,7H,3,5,15H2,1H3,(H,16,18,19)/t7-/m0/s1 | Definition date: | 2023-03-24 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione |
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![OSR OSR](https://data.pdbj.org/pdbjplus/data/cc/svg/OSR.svg) | OSR | Name: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide | Formula: | C31 H35 Br N4 O4 | SMILES: | CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5 | InChi: | InChI=1S/C31H35BrN4O4/c1-4-20(2)29-30(38)34(18-22-11-14-26(40-3)25-8-6-5-7-24(22)25)19-27-35(16-15-28(37)36(27)29)31(39)33-17-21-9-12-23(32)13-10-21/h5-14,20,27,29H,4,15-19H2,1-3H3,(H,33,39)/t20-,27+,29-/m0/s1 | Definition date: | 2023-02-10 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide |
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![K9E K9E](https://data.pdbj.org/pdbjplus/data/cc/svg/K9E.svg) | K9E | Name: | [4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Formula: | C12 H19 N2 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O | InChi: | InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+ | Definition date: | 2022-09-13 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | [4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
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![IJC IJC](https://data.pdbj.org/pdbjplus/data/cc/svg/IJC.svg) | IJC | Name: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid | Formula: | C13 H11 Cl N4 O6 S | SMILES: | COc1cc(Cl)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(O)=O)n1 | InChi: | InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21) | Definition date: | 2022-07-05 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid |
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![RTO RTO](https://data.pdbj.org/pdbjplus/data/cc/svg/RTO.svg) | RTO | Name: | 4-(dipropylsulfamoyl)benzoic acid | Formula: | C13 H19 N O4 S | SMILES: | CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16) | Definition date: | 2022-12-06 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | 4-(dipropylsulfamoyl)benzoic acid |
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![UXU UXU](https://data.pdbj.org/pdbjplus/data/cc/svg/UXU.svg) | UXU | Name: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol | Formula: | C14 H10 F4 O3 S2 | SMILES: | C[S](=O)(=O)c1sc(c2CC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3 | InChi: | InChI=1S/C14H10F4O3S2/c1-23(20,21)13-10-9(5-14(17,18)12(10)19)11(22-13)6-2-7(15)4-8(16)3-6/h2-4,12,19H,5H2,1H3/t12-/m0/s1 | Definition date: | 2023-02-15 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol |
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![UY3 UY3](https://data.pdbj.org/pdbjplus/data/cc/svg/UY3.svg) | UY3 | Name: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol | Formula: | C15 H12 F4 O3 S2 | SMILES: | C[S](=O)(=O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3 | InChi: | InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1 | Definition date: | 2023-02-15 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol |
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![UYF UYF](https://data.pdbj.org/pdbjplus/data/cc/svg/UYF.svg) | UYF | Name: | (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol | Formula: | C14 H18 F2 O4 S2 | SMILES: | C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13 | InChi: | InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1 | Definition date: | 2023-02-15 | Last modified: | 2023-07-14 | Release date: | 2023-07-19 | Identifier: | (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol |
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