![HHL HHL](https://data.pdbj.org/pdbjplus/data/cc/svg/HHL.svg) | HHL | Name: | N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide | Formula: | C23 H21 Cl2 F N4 O4 | SMILES: | COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl | InChi: | InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30) | Definition date: | 2021-01-12 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide |
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![U3A U3A](https://data.pdbj.org/pdbjplus/data/cc/svg/U3A.svg) | U3A | Name: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide | Formula: | C20 H17 F3 N4 O4 | SMILES: | C=2(NC(c1ccccc1C(F)(F)F)=NC(C=2O)=O)C(NCCc3ccnc(c3)OC)=O | InChi: | InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-4-2-3-5-13(12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30) | Definition date: | 2020-04-10 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide |
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![U8W U8W](https://data.pdbj.org/pdbjplus/data/cc/svg/U8W.svg) | U8W | Name: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid | Formula: | C6 H15 O11 P S | SMILES: | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C[S](O)(=O)=O | InChi: | InChI=1S/C6H15O11PS/c7-3(1-17-18(11,12)13)5(9)6(10)4(8)2-19(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H,14,15,16)/t3-,4+,5+,6+/m0/s1 | Definition date: | 2021-02-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | (2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)-6-phosphonooxy-hexane-1-sulfonic acid |
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![U8Z U8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U8Z.svg) | U8Z | Name: | [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate | Formula: | C3 H7 O6 P | SMILES: | OCC(O)=CO[P](O)(O)=O | InChi: | InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+ | Definition date: | 2021-02-03 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate |
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![UFY UFY](https://data.pdbj.org/pdbjplus/data/cc/svg/UFY.svg) | UFY | Name: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide | Formula: | C19 H25 B N4 O4 | SMILES: | c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O | InChi: | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1 | Definition date: | 2020-05-15 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide |
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![UKS UKS](https://data.pdbj.org/pdbjplus/data/cc/svg/UKS.svg) | UKS | Name: | [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid | Formula: | C20 H27 B N4 O4 | SMILES: | C(CCC)(NC(c1cnccn1)=O)C(=O)NC(B(O)O)CCCc2ccccc2 | InChi: | InChI=1S/C20H27BN4O4/c1-2-7-16(24-20(27)17-14-22-12-13-23-17)19(26)25-18(21(28)29)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,12-14,16,18,28-29H,2,6-7,10-11H2,1H3,(H,24,27)(H,25,26)/t16-,18+/m1/s1 | Definition date: | 2020-05-20 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid |
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![V22 V22](https://data.pdbj.org/pdbjplus/data/cc/svg/V22.svg) | V22 | Name: | ~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide | Formula: | C25 H29 N6 O2 | SMILES: | O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)C4=CC(=O)[n]5ccccc5N4 | InChi: | InChI=1S/C25H29N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)(H,29,32) | Definition date: | 2021-04-07 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | ~{N}-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxidanylidene-1~{H}-pyrido[1,2-a]pyrimidine-2-carboxamide |
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![VFP VFP](https://data.pdbj.org/pdbjplus/data/cc/svg/VFP.svg) | VFP | Name: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione | Formula: | C20 H17 N3 O4 | SMILES: | c21occc1c(ncc2)Oc3ccc(c(c3)C)C4=C(C(NC(N4C)=O)=O)C | InChi: | InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25) | Definition date: | 2020-08-10 | Last modified: | 2021-04-09 | Release date: | 2021-04-14 | Identifier: | 6-{4-[(furo[3,2-c]pyridin-4-yl)oxy]-2-methylphenyl}-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
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![NNA NNA](https://data.pdbj.org/pdbjplus/data/cc/svg/NNA.svg) | NNA | Name: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C36 H63 N5 O7 S | SMILES: | O=C(N3C(C(=O)NC(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C | InChi: | InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1 | Synonyms: | Narlaprevir, bound form | Definition date: | 2010-03-09 | Last modified: | 2021-04-06 | Identifier: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![YK1 YK1](https://data.pdbj.org/pdbjplus/data/cc/svg/YK1.svg) | YK1 | Name: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | Formula: | C23 H22 F4 N6 O2 | SMILES: | FC(F)(F)c1cccc(F)c1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C23H22F4N6O2/c1-33-7-6-12-9-18(35-2)17(8-13(12)11-33)30-22-29-10-14(20(28)34)21(32-22)31-19-15(23(25,26)27)4-3-5-16(19)24/h3-5,8-10H,6-7,11H2,1-2H3,(H2,28,34)(H2,29,30,31,32) | Definition date: | 2021-03-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![YK4 YK4](https://data.pdbj.org/pdbjplus/data/cc/svg/YK4.svg) | YK4 | Name: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | Formula: | C22 H23 Br N6 O2 | SMILES: | Brc1ccccc1Nc1nc(ncc1C(N)=O)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C22H23BrN6O2/c1-29-8-7-13-10-19(31-2)18(9-14(13)12-29)27-22-25-11-15(20(24)30)21(28-22)26-17-6-4-3-5-16(17)23/h3-6,9-11H,7-8,12H2,1-2H3,(H2,24,30)(H2,25,26,27,28) | Definition date: | 2021-03-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![YK7 YK7](https://data.pdbj.org/pdbjplus/data/cc/svg/YK7.svg) | YK7 | Name: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide | Formula: | C22 H24 N6 O2 | SMILES: | NC(=O)c1cnc(nc1Nc1ccccc1)Nc1cc2CN(C)CCc2cc1OC | InChi: | InChI=1S/C22H24N6O2/c1-28-9-8-14-11-19(30-2)18(10-15(14)13-28)26-22-24-12-17(20(23)29)21(27-22)25-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H2,23,29)(H2,24,25,26,27) | Definition date: | 2021-03-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide |
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![Z41 Z41](https://data.pdbj.org/pdbjplus/data/cc/svg/Z41.svg) | Z41 | Name: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate | Formula: | C35 H68 O5 | SMILES: | O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 | Definition date: | 2012-12-17 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate |
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![Y3G Y3G](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3G.svg) | Y3G | Name: | 5-ethynylpyrimidine-2,4(1H,3H)-dione | Formula: | C6 H4 N2 O2 | SMILES: | C#CC=1C(NC(NC=1)=O)=O | InChi: | InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10) | Definition date: | 2021-02-01 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 5-ethynylpyrimidine-2,4(1H,3H)-dione |
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![Y49 Y49](https://data.pdbj.org/pdbjplus/data/cc/svg/Y49.svg) | Y49 | Name: | 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid | Formula: | C19 H13 N5 O4 | SMILES: | NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O | InChi: | InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27) | Definition date: | 2020-04-08 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid |
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![F8R F8R](https://data.pdbj.org/pdbjplus/data/cc/svg/F8R.svg) | F8R | Name: | 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone | Formula: | C28 H33 N7 O4 S | SMILES: | COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccccc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3 | InChi: | InChI=1S/C28H33N7O4S/c1-17(2)40(37,38)24-9-7-6-8-19(24)30-27-26-20(10-12-29-26)31-28(33-27)32-21-15-22-18(14-23(21)39-5)11-13-35(22)25(36)16-34(3)4/h6-10,12,14-15,17,29H,11,13,16H2,1-5H3,(H2,30,31,32,33) | Definition date: | 2020-04-15 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
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![YE4 YE4](https://data.pdbj.org/pdbjplus/data/cc/svg/YE4.svg) | YE4 | Name: | N-(4-chlorobenzyl)-1-methyl-6-(morpholinomethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | Formula: | C23 H24 Cl N3 O3 | SMILES: | c4(ccc(CNC(C1=CN(C)c2ccc(cc2C1=O)CN3CCOCC3)=O)cc4)Cl | InChi: | InChI=1S/C23H24ClN3O3/c1-26-15-20(23(29)25-13-16-2-5-18(24)6-3-16)22(28)19-12-17(4-7-21(19)26)14-27-8-10-30-11-9-27/h2-7,12,15H,8-11,13-14H2,1H3,(H,25,29) | Definition date: | 2021-02-23 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | N-[(4-chlorophenyl)methyl]-1-methyl-6-[(morpholin-4-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
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![JT8 JT8](https://data.pdbj.org/pdbjplus/data/cc/svg/JT8.svg) | JT8 | Name: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione | Formula: | C33 H48 N4 O4 | SMILES: | O[CH]1CC(=O)N[CH](Cc2ccccn2)C(=O)NCCCCCCCCCCCCCC(=O)N[CH]1Cc3ccccc3 | InChi: | InChI=1S/C33H48N4O4/c38-30-25-32(40)37-29(24-27-19-14-16-21-34-27)33(41)35-22-15-9-7-5-3-1-2-4-6-8-13-20-31(39)36-28(30)23-26-17-11-10-12-18-26/h10-12,14,16-19,21,28-30,38H,1-9,13,15,20,22-25H2,(H,35,41)(H,36,39)(H,37,40)/t28-,29-,30-/m0/s1 | Definition date: | 2019-03-26 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione |
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![FN9 FN9](https://data.pdbj.org/pdbjplus/data/cc/svg/FN9.svg) | FN9 | Name: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C20 H25 N5 O | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4ccn(C)c4C(=O)N3C | InChi: | InChI=1S/C20H25N5O/c1-23-12-15(14-7-5-4-6-8-14)11-16(13-23)21-20-22-17-9-10-24(2)18(17)19(26)25(20)3/h4-10,15-16H,11-13H2,1-3H3,(H,21,22)/t15-,16+/m0/s1 | Definition date: | 2020-06-08 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3,5-dimethyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one |
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![FNC FNC](https://data.pdbj.org/pdbjplus/data/cc/svg/FNC.svg) | FNC | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C19 H23 N5 O | SMILES: | CN1C[CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C(=O)N3C | InChi: | InChI=1S/C19H23N5O/c1-23-11-14(13-6-4-3-5-7-13)10-15(12-23)21-19-22-16-8-9-20-17(16)18(25)24(19)2/h3-9,14-15,20H,10-12H2,1-2H3,(H,21,22)/t14-,15+/m0/s1 | Definition date: | 2020-06-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![FNO FNO](https://data.pdbj.org/pdbjplus/data/cc/svg/FNO.svg) | FNO | Name: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione | Formula: | C16 H16 O5 | SMILES: | CC(C)=CC[CH](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O | InChi: | InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1 | Synonyms: | shikonin | Definition date: | 2020-06-11 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-[(1~{R})-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione |
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![FVR FVR](https://data.pdbj.org/pdbjplus/data/cc/svg/FVR.svg) | FVR | Name: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one | Formula: | C26 H29 N5 O2 | SMILES: | CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4C | InChi: | InChI=1S/C26H29N5O2/c1-30-15-20(19-8-10-22(11-9-19)33-17-18-6-4-3-5-7-18)14-21(16-30)28-26-29-23-12-13-27-24(23)25(32)31(26)2/h3-13,20-21,27H,14-17H2,1-2H3,(H,28,29)/t20-,21+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 3-methyl-2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
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![OPW OPW](https://data.pdbj.org/pdbjplus/data/cc/svg/OPW.svg) | OPW | Name: | ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | Formula: | C15 H13 N3 O2 S | SMILES: | COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3 | InChi: | InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19) | Definition date: | 2020-03-26 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide |
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![OQT OQT](https://data.pdbj.org/pdbjplus/data/cc/svg/OQT.svg) | OQT | Name: | 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide | Formula: | C16 H13 F3 N2 O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23 | InChi: | InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1 | Synonyms: | 2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide | Definition date: | 2020-03-30 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide |
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![OQW OQW](https://data.pdbj.org/pdbjplus/data/cc/svg/OQW.svg) | OQW | Name: | 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide | Formula: | C14 H19 F3 N2 O2 S | SMILES: | N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2 | InChi: | InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21) | Synonyms: | 2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide | Definition date: | 2020-03-30 | Last modified: | 2021-04-02 | Release date: | 2021-04-07 | Identifier: | 2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide |
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