![WDZ WDZ](https://data.pdbj.org/pdbjplus/data/cc/svg/WDZ.svg) | WDZ | Name: | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate | Formula: | C9 H14 N4 O2 | SMILES: | COC(=O)Cn1nnnc1C1CCCC1 | InChi: | InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate |
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![WE5 WE5](https://data.pdbj.org/pdbjplus/data/cc/svg/WE5.svg) | WE5 | Name: | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate | Formula: | C12 H13 N O3 | SMILES: | O=C(OC)C1CC(=O)N(C1)c1ccccc1 | InChi: | InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1 | Definition date: | 2022-09-02 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate |
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![WKH WKH](https://data.pdbj.org/pdbjplus/data/cc/svg/WKH.svg) | WKH | Name: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide | Formula: | C12 H16 F2 N2 O | SMILES: | Fc1cc(F)ccc1C(C)NCC(=O)NCC | InChi: | InChI=1S/C12H16F2N2O/c1-3-15-12(17)7-16-8(2)10-5-4-9(13)6-11(10)14/h4-6,8,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1 | Definition date: | 2022-09-19 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N~2~-[(1R)-1-(2,4-difluorophenyl)ethyl]-N-ethylglycinamide |
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![WKL WKL](https://data.pdbj.org/pdbjplus/data/cc/svg/WKL.svg) | WKL | Name: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide | Formula: | C9 H11 N3 O S | SMILES: | O=C(N(CCN)CC#N)c1cccs1 | InChi: | InChI=1S/C9H11N3OS/c10-3-5-12(6-4-11)9(13)8-2-1-7-14-8/h1-2,7H,3,5-6,10H2 | Definition date: | 2022-09-20 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-(2-aminoethyl)-N-(cyanomethyl)thiophene-2-carboxamide |
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![WLK WLK](https://data.pdbj.org/pdbjplus/data/cc/svg/WLK.svg) | WLK | Name: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone | Formula: | C24 H23 N7 O S | SMILES: | O=C(N1CC(Nc2nc(ccn2)n2cc(nc2c2ccccc2)C2CC2)CC1)c1nccs1 | InChi: | InChI=1S/C24H23N7OS/c32-23(22-25-11-13-33-22)30-12-9-18(14-30)27-24-26-10-8-20(29-24)31-15-19(16-6-7-16)28-21(31)17-4-2-1-3-5-17/h1-5,8,10-11,13,15-16,18H,6-7,9,12,14H2,(H,26,27,29)/t18-/m1/s1 | Definition date: | 2022-09-28 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone |
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![WOR WOR](https://data.pdbj.org/pdbjplus/data/cc/svg/WOR.svg) | WOR | Name: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide | Formula: | C11 H18 N2 O3 S | SMILES: | Oc1ccc(C)cc1NS(=O)(=O)N(C)C(C)C | InChi: | InChI=1S/C11H18N2O3S/c1-8(2)13(4)17(15,16)12-10-7-9(3)5-6-11(10)14/h5-8,12,14H,1-4H3 | Definition date: | 2022-10-06 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N'-(2-hydroxy-5-methylphenyl)-N-methyl-N-(propan-2-yl)sulfuric diamide |
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![ELO ELO](https://data.pdbj.org/pdbjplus/data/cc/svg/ELO.svg) | ELO | Name: | Elaiophylin | Formula: | C54 H88 O18 | SMILES: | CC[CH]1[CH](C)O[C](O)(C[CH]1O[CH]2C[CH](O)[CH](O)[CH](C)O2)[CH](C)[CH](O)[CH](C)[CH]3OC(=O)C=CC=C[CH](C)[CH](OC(=O)C=CC=C[CH]3C)[CH](C)[CH](O)[CH](C)[C]4(O)C[CH](O[CH]5C[CH](O)[CH](O)[CH](C)O5)[CH](CC)[CH](C)O4 | InChi: | InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,45-,46-,47+,48+,49+,50+,51-,52-,53+,54+/m0/s1 | Synonyms: | (3~{E},5~{E},7~{S},8~{S},11~{E},13~{E},15~{S},16~{S})-8,16-bis[(2~{S},3~{R},4~{S})-4-[(2~{R},4~{R},5~{R},6~{R})-5-ethyl-6-methyl-4-[(2~{R},4~{S},5~{S},6~{S})-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione | Definition date: | 2021-01-26 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (3~{E},5~{E},7~{S},8~{S},11~{E},13~{E},15~{S},16~{S})-8,16-bis[(2~{S},3~{R},4~{S})-4-[(2~{R},4~{R},5~{R},6~{R})-5-ethyl-6-methyl-4-[(2~{R},4~{S},5~{S},6~{S})-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-oxan-2-yl]-3-oxidanyl-pentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione |
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![WTN WTN](https://data.pdbj.org/pdbjplus/data/cc/svg/WTN.svg) | WTN | Name: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide | Formula: | C20 H25 N5 O4 S | SMILES: | O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC | InChi: | InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1 | Definition date: | 2022-10-18 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide |
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![O2L O2L](https://data.pdbj.org/pdbjplus/data/cc/svg/O2L.svg) | O2L | Name: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide | Formula: | C17 H16 F4 N2 O4 S | SMILES: | Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C | InChi: | InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24) | Definition date: | 2022-04-17 | Last modified: | 2022-10-28 | Release date: | 2022-11-02 | Identifier: | N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide |
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![3UZ 3UZ](https://data.pdbj.org/pdbjplus/data/cc/svg/3UZ.svg) | 3UZ | Name: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide | Formula: | C23 H22 Cl N O4 | SMILES: | Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2 | InChi: | InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)/t22-/m0/s1 | Synonyms: | Mandipropamid | Definition date: | 2014-11-07 | Last modified: | 2022-10-27 | Release date: | 2015-02-11 | Identifier: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide |
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![EV1 EV1](https://data.pdbj.org/pdbjplus/data/cc/svg/EV1.svg) | EV1 | Name: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE | Formula: | C20 H21 N O4 | SMILES: | O(c1ccc(cc1OC)Cc3nccc2cc(OC)c(OC)cc23)C | InChi: | InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3 | Synonyms: | Papaverine | Definition date: | 2009-04-02 | Last modified: | 2022-10-26 | Identifier: | 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline |
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![QNG QNG](https://data.pdbj.org/pdbjplus/data/cc/svg/QNG.svg) | QNG | Name: | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Formula: | C39 H32 Cl F10 N7 O5 S2 | SMILES: | C(Cc1cc(F)cc(c1)F)(c2nc(ccc2c3ccc(c4c3n(CC(F)(F)F)nc4NS(C)(=O)=O)Cl)C#CC(S(C)(=O)=O)(C)C)NC(=O)Cn5c6c(c(n5)C(F)(F)F)C7C(C6(F)F)C7 | InChi: | InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1 | Synonyms: | Lenacapavir | Definition date: | 2019-11-25 | Last modified: | 2022-10-25 | Release date: | 2020-07-01 | Identifier: | N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
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![6N9 6N9](https://data.pdbj.org/pdbjplus/data/cc/svg/6N9.svg) | 6N9 | Name: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide | Formula: | C24 H21 F2 N3 O4 S | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1 | InChi: | InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide |
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![6NC 6NC](https://data.pdbj.org/pdbjplus/data/cc/svg/6NC.svg) | 6NC | Name: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) | Formula: | C52 H46 F4 N8 O9 S2 | SMILES: | CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F | InChi: | InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62) | Definition date: | 2016-05-10 | Last modified: | 2022-10-25 | Release date: | 2016-09-14 | Identifier: | 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide) |
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![I6H I6H](https://data.pdbj.org/pdbjplus/data/cc/svg/I6H.svg) | I6H | Name: | Dexverapamil | Formula: | C27 H38 N2 O4 | SMILES: | COc1ccc(CCN(C)CCC[C](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC | InChi: | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1 | Definition date: | 2022-02-15 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | (2~{R})-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile |
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![I8L I8L](https://data.pdbj.org/pdbjplus/data/cc/svg/I8L.svg) | I8L | Name: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one | Formula: | C7 H6 O4 | SMILES: | O[CH]1OCC=C2OC(=O)C=C12 | InChi: | InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2/t7-/m0/s1 | Definition date: | 2022-06-15 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | (4~{S})-4-oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one |
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![1IB 1IB](https://data.pdbj.org/pdbjplus/data/cc/svg/1IB.svg) | 1IB | Name: | N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide | Formula: | C18 H24 F2 N2 O | SMILES: | CCNC(=O)[CH]1C[C](F)(C1)c2ccc(CN3CCCC3)c(F)c2 | InChi: | InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18- | Definition date: | 2021-06-24 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | ~{N}-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide |
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![NK3 NK3](https://data.pdbj.org/pdbjplus/data/cc/svg/NK3.svg) | NK3 | Name: | OTS964 | Formula: | C23 H24 N2 O2 S | SMILES: | CN(C)CC(C)c1ccc(cc1)c1c2c(NC(=O)c3sccc32)c(C)cc1O | InChi: | InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1 | Definition date: | 2022-04-05 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | (9aM)-9-{4-[(2R)-1-(dimethylamino)propan-2-yl]phenyl}-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one |
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![A8I A8I](https://data.pdbj.org/pdbjplus/data/cc/svg/A8I.svg) | A8I | Name: | 3-benzoylbenzoic acid | Formula: | C14 H10 O3 | SMILES: | OC(=O)c1cccc(c1)C(=O)c2ccccc2 | InChi: | InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17) | Synonyms: | 3-(phenylcarbonyl)benzoic acid | Definition date: | 2021-11-25 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | 3-(phenylcarbonyl)benzoic acid |
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![7T6 7T6](https://data.pdbj.org/pdbjplus/data/cc/svg/7T6.svg) | 7T6 | Name: | (2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid | Formula: | C9 H11 N O5 S | SMILES: | CO[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O | InChi: | InChI=1S/C9H11NO5S/c1-4-3-16-7(6(15-2)9(13)14)10-5(4)8(11)12/h6-7H,1,3H2,2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1 | Definition date: | 2021-10-22 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | (2~{R})-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid |
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![7TC 7TC](https://data.pdbj.org/pdbjplus/data/cc/svg/7TC.svg) | 7TC | Name: | (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid | Formula: | C11 H15 N O4 | SMILES: | C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C | InChi: | InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1 | Definition date: | 2021-10-22 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | (2~{R},3~{S})-3-methyl-4-methylidene-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid |
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![UC7 UC7](https://data.pdbj.org/pdbjplus/data/cc/svg/UC7.svg) | UC7 | Name: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C20 H24 N2 O2 | SMILES: | O=C1c2ccc(NCCCC)c3cccc(C(=O)N1CCCC)c32 | InChi: | InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3 | Definition date: | 2022-08-16 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | 2-butyl-6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
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![CGI CGI](https://data.pdbj.org/pdbjplus/data/cc/svg/CGI.svg) | CGI | Name: | ~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Formula: | C18 H13 Cl N4 O | SMILES: | Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 | InChi: | InChI=1S/C18H13ClN4O/c19-12-1-5-14(6-2-12)24-15-7-3-13(4-8-15)23-18-16-9-10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23) | Definition date: | 2021-12-14 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | ~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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![UL9 UL9](https://data.pdbj.org/pdbjplus/data/cc/svg/UL9.svg) | UL9 | Name: | 3-isothiocyanatoprop-1-ene | Formula: | C4 H5 N S | SMILES: | C=CCN=C=S | InChi: | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 | Definition date: | 2022-08-23 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | 3-isothiocyanatoprop-1-ene |
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![ULO ULO](https://data.pdbj.org/pdbjplus/data/cc/svg/ULO.svg) | ULO | Name: | nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane | Formula: | C15 H33 O P | SMILES: | O=P(CCCCCCCCC)(C(C)C)C(C)C | InChi: | InChI=1S/C15H33OP/c1-6-7-8-9-10-11-12-13-17(16,14(2)3)15(4)5/h14-15H,6-13H2,1-5H3 | Definition date: | 2022-08-23 | Last modified: | 2022-10-21 | Release date: | 2022-10-26 | Identifier: | nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane |
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