![ZY8 ZY8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZY8.svg) | ZY8 | Name: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol | Formula: | C26 H25 N O4 | SMILES: | OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54 | InChi: | InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol |
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![ZJ3 ZJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJ3.svg) | ZJ3 | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate | Formula: | C25 H26 F3 N5 O16 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)(F)F)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C25H26F3N5O16P2/c26-25(27,28)11-4-15(34)46-12-3-9(1-2-10(11)12)45-24-20(38)18(36)14(48-24)6-44-51(41,42)49-50(39,40)43-5-13-17(35)19(37)23(47-13)33-8-32-16-21(29)30-7-31-22(16)33/h1-4,7-8,13-14,17-20,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H2,29,30,31)/t13-,14-,17-,18-,19-,20-,23-,24+/m1/s1 | Definition date: | 2023-03-14 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![SRU SRU](https://data.pdbj.org/pdbjplus/data/cc/svg/SRU.svg) | SRU | Name: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one | Formula: | C19 H20 N2 O3 | SMILES: | O=C(C)N1N=C(CC1c1ccc(OC)c(OC)c1)c1ccccc1 | InChi: | InChI=1S/C19H20N2O3/c1-13(22)21-17(12-16(20-21)14-7-5-4-6-8-14)15-9-10-18(23-2)19(11-15)24-3/h4-11,17H,12H2,1-3H3/t17-/m0/s1 | Definition date: | 2022-07-08 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one |
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![SVL SVL](https://data.pdbj.org/pdbjplus/data/cc/svg/SVL.svg) | SVL | Name: | 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one | Formula: | C17 H25 Cl N2 O | SMILES: | CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O | InChi: | InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m1/s1 | Definition date: | 2022-07-11 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one |
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![U79 U79](https://data.pdbj.org/pdbjplus/data/cc/svg/U79.svg) | U79 | Name: | methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate | Formula: | C44 H38 N8 O5 S2 | SMILES: | COC(=O)C[CH]1N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4ccc(cc4)[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N)c7c(C)c(C)sc7n8c(C)nnc18 | InChi: | InChI=1S/C44H38N8O5S2/c1-24-6-19-35(41-38(24)33(21-45)23-46-41)51-59(55,56)34-17-7-28(8-18-34)22-47-43(54)32-15-11-30(12-16-32)29-9-13-31(14-10-29)40-39-25(2)26(3)58-44(39)52-27(4)49-50-42(52)36(48-40)20-37(53)57-5/h6-19,23,36,46,51H,20,22H2,1-5H3,(H,47,54)/t36-/m0/s1 | Definition date: | 2023-01-27 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate |
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![8XI 8XI](https://data.pdbj.org/pdbjplus/data/cc/svg/8XI.svg) | 8XI | Name: | Cefaclor | Formula: | C15 H14 Cl N3 O4 S | SMILES: | N[CH](C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)=O)Cl)c3ccccc3 | InChi: | InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1 | Synonyms: | (6R,7R)-7-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | Definition date: | 2021-11-08 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | (6~{R},7~{R})-7-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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![JSI JSI](https://data.pdbj.org/pdbjplus/data/cc/svg/JSI.svg) | JSI | Name: | [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | Formula: | C14 H11 Br N3 O4 P S | SMILES: | O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23 | InChi: | InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+ | Definition date: | 2022-05-09 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid |
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![JT3 JT3](https://data.pdbj.org/pdbjplus/data/cc/svg/JT3.svg) | JT3 | Name: | [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid | Formula: | C20 H11 F5 N3 O5 P S | SMILES: | O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34 | InChi: | InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+ | Definition date: | 2022-05-09 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid |
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![JTC JTC](https://data.pdbj.org/pdbjplus/data/cc/svg/JTC.svg) | JTC | Name: | [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid | Formula: | C20 H11 F5 N3 O5 P S | SMILES: | O[P](O)(=O)C=Cc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc3c[nH]c4C(=O)NC=Nc34 | InChi: | InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b4-3+ | Definition date: | 2022-05-09 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid |
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![JTO JTO](https://data.pdbj.org/pdbjplus/data/cc/svg/JTO.svg) | JTO | Name: | [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid | Formula: | C13 H12 N3 O5 P S | SMILES: | O[P](O)(=O)COc1ccccc1Sc2c[nH]c3C(=O)NC=Nc23 | InChi: | InChI=1S/C13H12N3O5PS/c17-13-12-11(15-6-16-13)10(5-14-12)23-9-4-2-1-3-8(9)21-7-22(18,19)20/h1-6,14H,7H2,(H,15,16,17)(H2,18,19,20) | Definition date: | 2022-05-09 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid |
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![JU9 JU9](https://data.pdbj.org/pdbjplus/data/cc/svg/JU9.svg) | JU9 | Name: | [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid | Formula: | C15 H14 N3 O5 P S | SMILES: | COc1ccc(C=C[P](O)(O)=O)c(Sc2c[nH]c3C(=O)NC=Nc23)c1 | InChi: | InChI=1S/C15H14N3O5PS/c1-23-10-3-2-9(4-5-24(20,21)22)11(6-10)25-12-7-16-14-13(12)17-8-18-15(14)19/h2-8,16H,1H3,(H,17,18,19)(H2,20,21,22)/b5-4+ | Definition date: | 2022-05-09 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid |
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![E7K E7K](https://data.pdbj.org/pdbjplus/data/cc/svg/E7K.svg) | E7K | Name: | 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline | Formula: | C27 H26 N6 S | SMILES: | Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1 | InChi: | InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3 | Definition date: | 2021-12-03 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline |
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![GWC GWC](https://data.pdbj.org/pdbjplus/data/cc/svg/GWC.svg) | GWC | Name: | 2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine | Formula: | C16 H13 Cl F N3 O | SMILES: | COc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23 | InChi: | InChI=1S/C16H13ClFN3O/c1-21(10-6-8-11(22-2)9-7-10)15-14-12(18)4-3-5-13(14)19-16(17)20-15/h3-9H,1-2H3 | Definition date: | 2022-05-18 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 2-chloranyl-5-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine |
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![GX5 GX5](https://data.pdbj.org/pdbjplus/data/cc/svg/GX5.svg) | GX5 | Name: | 2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine | Formula: | C15 H13 Cl N4 O | SMILES: | COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23 | InChi: | InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3 | Definition date: | 2022-05-18 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-pyrido[3,2-d]pyrimidin-4-amine |
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![GXI GXI](https://data.pdbj.org/pdbjplus/data/cc/svg/GXI.svg) | GXI | Name: | 2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine | Formula: | C16 H13 Cl F N3 O | SMILES: | COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23 | InChi: | InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3 | Definition date: | 2022-05-18 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine |
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![GY2 GY2](https://data.pdbj.org/pdbjplus/data/cc/svg/GY2.svg) | GY2 | Name: | 2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine | Formula: | C16 H13 Cl F N3 O | SMILES: | COc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23 | InChi: | InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(18)3-8-14(13)19-16(17)20-15/h3-9H,1-2H3 | Definition date: | 2022-05-18 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 2-chloranyl-6-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine |
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![6RA 6RA](https://data.pdbj.org/pdbjplus/data/cc/svg/6RA.svg) | 6RA | Name: | N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine | Formula: | C17 H17 N3 | SMILES: | c1cccc2[NH]c(nc12)NC1CCCc2ccccc21 | InChi: | InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1 | Definition date: | 2016-05-31 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine |
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![8DI 8DI](https://data.pdbj.org/pdbjplus/data/cc/svg/8DI.svg) | 8DI | Name: | N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | Formula: | C17 H16 F N3 O2 S | SMILES: | Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4 | InChi: | InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20) | Synonyms: | N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide | Definition date: | 2021-10-08 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | ~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide |
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![JQO JQO](https://data.pdbj.org/pdbjplus/data/cc/svg/JQO.svg) | JQO | Name: | (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide | Formula: | C17 H27 F N2 O4 S | SMILES: | CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C | InChi: | InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1 | Definition date: | 2022-05-07 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | (2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide |
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![Q3V Q3V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3V.svg) | Q3V | Name: | N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine | Formula: | C15 H21 N5 O5 | SMILES: | C/C(CO)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O | InChi: | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1 | Definition date: | 2022-06-01 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine |
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![IS4 IS4](https://data.pdbj.org/pdbjplus/data/cc/svg/IS4.svg) | IS4 | Name: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C23 H30 Br N5 O4 | SMILES: | CCC(=O)N1CCC(CC1)[CH]2CCNc3n2nc(c4cc(OC)c(Br)c(OC)c4)c3C(N)=O | InChi: | InChI=1S/C23H30BrN5O4/c1-4-18(30)28-9-6-13(7-10-28)15-5-8-26-23-19(22(25)31)21(27-29(15)23)14-11-16(32-2)20(24)17(12-14)33-3/h11-13,15,26H,4-10H2,1-3H3,(H2,25,31)/t15-/m0/s1 | Definition date: | 2022-07-14 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![IUE IUE](https://data.pdbj.org/pdbjplus/data/cc/svg/IUE.svg) | IUE | Name: | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide | Formula: | C13 H14 Cl N3 O2 S | SMILES: | Cc1c(Cl)c(nc2sc(c(N)c12)C(=O)NC1CC1)OC | InChi: | InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18) | Definition date: | 2022-01-31 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide |
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![IUI IUI](https://data.pdbj.org/pdbjplus/data/cc/svg/IUI.svg) | IUI | Name: | 5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide | Formula: | C17 H15 F3 N4 O3 S2 | SMILES: | FC(F)(F)S(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2nnc(C)c(C)c2c1N | InChi: | InChI=1S/C17H15F3N4O3S2/c1-8-9(2)23-24-16-12(8)13(21)14(28-16)15(25)22-7-10-3-5-11(6-4-10)29(26,27)17(18,19)20/h3-6H,7,21H2,1-2H3,(H,22,25) | Definition date: | 2022-01-31 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | 5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide |
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![WNU WNU](https://data.pdbj.org/pdbjplus/data/cc/svg/WNU.svg) | WNU | Name: | 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one | Formula: | C16 H15 Cl N5 O7 P S | SMILES: | Clc1ccc(cc1)Sc1nc2c(N=C(N)NC2=O)n1C1OC2COP(=O)(O)OC2C1O | InChi: | InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1 | Definition date: | 2022-10-04 | Last modified: | 2023-05-11 | Release date: | 2023-05-10 | Identifier: | 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one |
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![BD0 BD0](https://data.pdbj.org/pdbjplus/data/cc/svg/BD0.svg) | BD0 | Name: | [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone | Formula: | C22 H23 Cl F2 N2 O3 | SMILES: | Oc1cc(O)c(cc1Cl)C(=O)N2CCC[CH]2c3ccc(CN4CCC(F)(F)C4)cc3 | InChi: | InChI=1S/C22H23ClF2N2O3/c23-17-10-16(19(28)11-20(17)29)21(30)27-8-1-2-18(27)15-5-3-14(4-6-15)12-26-9-7-22(24,25)13-26/h3-6,10-11,18,28-29H,1-2,7-9,12-13H2/t18-/m1/s1 | Synonyms: | 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium | Definition date: | 2009-05-11 | Last modified: | 2023-05-11 | Identifier: | [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone |
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