![E9U E9U](https://data.pdbj.org/pdbjplus/data/cc/svg/E9U.svg) | E9U | 表記: | (2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid | 組成式: | C15 H22 N3 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](CCSC[CH](N)C(O)=O)C(O)=O)c1O | InChi: | InChI=1S/C15H22N3O9PS/c1-8-13(19)10(9(4-17-8)6-27-28(24,25)26)5-18-12(15(22)23)2-3-29-7-11(16)14(20)21/h4-5,11-12,19H,2-3,6-7,16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/b18-5+/t11-,12-/m0/s1 | 定義日: | 2019-11-27 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid |
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![FQL FQL](https://data.pdbj.org/pdbjplus/data/cc/svg/FQL.svg) | FQL | 表記: | (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide | 組成式: | C17 H20 Cl2 N4 O3 | SMILES: | CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O | InChi: | InChI=1S/C17H20Cl2N4O3/c1-10(24)15(20-2)16(25)21-5-3-4-6-23-9-22-14-8-13(19)12(18)7-11(14)17(23)26/h3-4,7-10,15,20,24H,5-6H2,1-2H3,(H,21,25)/b4-3+/t10-,15+/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (2~{S},3~{R})-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide |
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![FQR FQR](https://data.pdbj.org/pdbjplus/data/cc/svg/FQR.svg) | FQR | 表記: | [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate | 組成式: | C16 H17 Br Cl N3 O4 | SMILES: | C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c(Cl)cc2C1=O | InChi: | InChI=1S/C16H17BrClN3O4/c1-9(22)14(19)16(24)25-5-3-2-4-21-8-20-13-7-11(17)12(18)6-10(13)15(21)23/h2-3,6-9,14,22H,4-5,19H2,1H3/b3-2+/t9-,14+/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | [(~{E})-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate |
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![FQU FQU](https://data.pdbj.org/pdbjplus/data/cc/svg/FQU.svg) | FQU | 表記: | 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate | 組成式: | C17 H21 Br Cl N3 O4 | SMILES: | C[CH](O)[CH](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O | InChi: | InChI=1S/C17H21BrClN3O4/c1-10(23)15(20)17(25)26-6-4-2-3-5-22-9-21-14-8-12(18)13(19)7-11(14)16(22)24/h7-10,15,23H,2-6,20H2,1H3/t10-,15+/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate |
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![H4X H4X](https://data.pdbj.org/pdbjplus/data/cc/svg/H4X.svg) | H4X | 表記: | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene | 組成式: | C42 H64 O2 | SMILES: | COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC | InChi: | InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ | 定義日: | 2020-06-10 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene |
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![OOW OOW](https://data.pdbj.org/pdbjplus/data/cc/svg/OOW.svg) | OOW | 表記: | {[(2R,3S,4R,5S,6R)-5-acetamido-3-hydroxy-4-(2-oxopropyl)-6-(phosphonooxy)oxan-2-yl]methoxy}phosphonic acid | 組成式: | C10 H19 N O13 P2 | SMILES: | CC(=O)N[CH]1[CH](O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O)O[P](O)(O)=O | InChi: | InChI=1S/C10H19NO13P2/c1-4(12)11-7-9(22-5(2)13)8(14)6(3-21-25(15,16)17)23-10(7)24-26(18,19)20/h6-10,14H,3H2,1-2H3,(H,11,12)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-,9-,10-/m1/s1 | 定義日: | 2020-03-25 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{S},6~{R})-3-acetamido-5-oxidanyl-2-phosphonooxy-6-(phosphonooxymethyl)oxan-4-yl] ethanoate |
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![LWT LWT](https://data.pdbj.org/pdbjplus/data/cc/svg/LWT.svg) | LWT | 表記: | 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | 組成式: | C18 H19 Cl N2 O2 S | SMILES: | N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl | InChi: | InChI=1S/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1 | 定義日: | 2019-09-25 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chlorophenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
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![LYQ LYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LYQ.svg) | LYQ | 表記: | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide | 組成式: | C18 H19 Cl N2 O3 S | SMILES: | N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl | InChi: | InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m0/s1 | 定義日: | 2019-09-28 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
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![EUX EUX](https://data.pdbj.org/pdbjplus/data/cc/svg/EUX.svg) | EUX | 表記: | N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine | 組成式: | C31 H34 F3 N9 O3 S | SMILES: | CC(C)n1c2cc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)ncc2c6c(OCC(F)(F)F)cc(cc16)N7CCN(C)CC7 | InChi: | InChI=1S/C31H34F3N9O3S/c1-19(2)43-24-14-28(38-27-6-7-35-30(39-27)20-15-37-42(17-20)47(44,45)22-4-5-22)36-16-23(24)29-25(43)12-21(41-10-8-40(3)9-11-41)13-26(29)46-18-31(32,33)34/h6-7,12-17,19,22H,4-5,8-11,18H2,1-3H3,(H,35,36,38,39) | 定義日: | 2020-01-29 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | ~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine |
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![F5O F5O](https://data.pdbj.org/pdbjplus/data/cc/svg/F5O.svg) | F5O | 表記: | 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid | 組成式: | C32 H30 F5 N3 O5 | SMILES: | COc1cccc(c1F)C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[CH](NCCCC(O)=O)c4ccccc4)C2=O | InChi: | InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | 4-[[(1~{R})-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid |
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![QL4 QL4](https://data.pdbj.org/pdbjplus/data/cc/svg/QL4.svg) | QL4 | 表記: | (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid | 組成式: | C19 H23 N2 O8 P | SMILES: | N(=C/c1c(c(ncc1COP(O)(O)=O)C)O)C(COc2ccccc2)CCC(=O)O | InChi: | InChI=1S/C19H23N2O8P/c1-13-19(24)17(14(9-20-13)11-29-30(25,26)27)10-21-15(7-8-18(22)23)12-28-16-5-3-2-4-6-16/h2-6,9-10,15,24H,7-8,11-12H2,1H3,(H,22,23)(H2,25,26,27)/b21-10+/t15-/m0/s1 | 定義日: | 2019-11-12 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (4S)-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-5-phenoxypentanoic acid |
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![QQN QQN](https://data.pdbj.org/pdbjplus/data/cc/svg/QQN.svg) | QQN | 表記: | [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone | 組成式: | C22 H24 Cl N3 O4 | SMILES: | COc1cc(cc2oc(NCc3cccc(Cl)c3)nc12)C(=O)N4CC[CH](O)[CH](C)C4 | InChi: | InChI=1S/C22H24ClN3O4/c1-13-12-26(7-6-17(13)27)21(28)15-9-18(29-2)20-19(10-15)30-22(25-20)24-11-14-4-3-5-16(23)8-14/h3-5,8-10,13,17,27H,6-7,11-12H2,1-2H3,(H,24,25)/t13-,17-/m1/s1 | 定義日: | 2020-07-24 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | [2-[(3-chlorophenyl)methylamino]-4-methoxy-1,3-benzoxazol-6-yl]-[(3~{R},4~{R})-3-methyl-4-oxidanyl-piperidin-1-yl]methanone |
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![QZY QZY](https://data.pdbj.org/pdbjplus/data/cc/svg/QZY.svg) | QZY | 表記: | 3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid | 組成式: | C27 H24 N2 O4 S | SMILES: | c1ccccc1Oc4ccc(c2cc(c(s2)C(O)=O)NC(=O)N(CC)Cc3ccccc3)cc4 | InChi: | InChI=1S/C27H24N2O4S/c1-2-29(18-19-9-5-3-6-10-19)27(32)28-23-17-24(34-25(23)26(30)31)20-13-15-22(16-14-20)33-21-11-7-4-8-12-21/h3-17H,2,18H2,1H3,(H,28,32)(H,30,31) | 定義日: | 2020-01-20 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | 3-{[benzyl(ethyl)carbamoyl]amino}-5-(4-phenoxyphenyl)thiophene-2-carboxylic acid |
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![OA8 OA8](https://data.pdbj.org/pdbjplus/data/cc/svg/OA8.svg) | OA8 | 表記: | {[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid | 組成式: | C10 H18 N O10 P | SMILES: | CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O | InChi: | InChI=1S/C10H18NO10P/c1-4(12)11-7-8(14)9(20-5(2)13)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1 | 定義日: | 2020-02-25 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{S})-5-acetamido-4,6-bis(oxidanyl)-2-(phosphonooxymethyl)oxan-3-yl] ethanoate |
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![OAB OAB](https://data.pdbj.org/pdbjplus/data/cc/svg/OAB.svg) | OAB | 表記: | {[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid | 組成式: | C10 H18 N O10 P | SMILES: | CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O | InChi: | InChI=1S/C10H18NO10P/c1-4(12)11-7-9(20-5(2)13)8(14)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1 | 定義日: | 2020-02-25 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | [(3~{S},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl] ethanoate |
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![970 970](https://data.pdbj.org/pdbjplus/data/cc/svg/970.svg) | 970 | 表記: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one | 組成式: | C23 H22 O6 | SMILES: | c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(C)=C)Oc2c3 | InChi: | InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 | 定義日: | 2018-01-26 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one |
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![Q94 Q94](https://data.pdbj.org/pdbjplus/data/cc/svg/Q94.svg) | Q94 | 表記: | N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | 組成式: | C12 H16 N8 O2 S2 | SMILES: | c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O | InChi: | InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1 | 定義日: | 2019-10-04 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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![Q9A Q9A](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9A.svg) | Q9A | 表記: | N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide | 組成式: | C12 H16 N8 O2 S2 | SMILES: | C2C(CN(c1nnc(NC(C)=O)s1)C2)Nc3nnc(NC(C)=O)s3 | InChi: | InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m0/s1 | 定義日: | 2019-10-04 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N-{5-[(3S)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide |
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![Q9S Q9S](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9S.svg) | Q9S | 表記: | 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine | 組成式: | C9 H13 N7 O S2 | SMILES: | Nc3nnc(OC1CCN(CC1)c2nnc(N)s2)s3 | InChi: | InChI=1S/C9H13N7OS2/c10-6-12-14-8(18-6)16-3-1-5(2-4-16)17-9-15-13-7(11)19-9/h5H,1-4H2,(H2,10,12)(H2,11,13) | 定義日: | 2019-10-08 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine |
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![Q9V Q9V](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9V.svg) | Q9V | 表記: | N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide | 組成式: | C13 H17 N7 O3 S2 | SMILES: | C2C(CCN(c1nnc(NC(C)=O)s1)C2)Oc3nnc(NC(C)=O)s3 | InChi: | InChI=1S/C13H17N7O3S2/c1-7(21)14-10-16-18-12(24-10)20-5-3-9(4-6-20)23-13-19-17-11(25-13)15-8(2)22/h9H,3-6H2,1-2H3,(H,14,16,21)(H,15,17,22) | 定義日: | 2019-10-08 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide |
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![PJ1 PJ1](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ1.svg) | PJ1 | 表記: | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol | 組成式: | C13 H16 Cl N3 O | SMILES: | c1(ccc(cc1)Cl)N(CC(Cn2ccnc2)O)C | InChi: | InChI=1S/C13H16ClN3O/c1-16(12-4-2-11(14)3-5-12)8-13(18)9-17-7-6-15-10-17/h2-7,10,13,18H,8-9H2,1H3/t13-/m1/s1 | 定義日: | 2019-08-07 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol |
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![PJ4 PJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/PJ4.svg) | PJ4 | 表記: | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline | 組成式: | C14 H18 Cl N3 | SMILES: | c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C | InChi: | InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3 | 定義日: | 2019-08-07 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline |
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![PJG PJG](https://data.pdbj.org/pdbjplus/data/cc/svg/PJG.svg) | PJG | 表記: | N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine | 組成式: | C12 H22 N2 | SMILES: | C13(CC2CC(CC(C1)C2)C3)NCCN | InChi: | InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12- | 定義日: | 2019-08-07 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine |
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![PJP PJP](https://data.pdbj.org/pdbjplus/data/cc/svg/PJP.svg) | PJP | 表記: | N,N-diethyl-4-methylbenzene-1-sulfonamide | 組成式: | C11 H17 N O2 S | SMILES: | CCN(CC)S(c1ccc(cc1)C)(=O)=O | InChi: | InChI=1S/C11H17NO2S/c1-4-12(5-2)15(13,14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 | 定義日: | 2019-08-12 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N,N-diethyl-4-methylbenzene-1-sulfonamide |
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![PJS PJS](https://data.pdbj.org/pdbjplus/data/cc/svg/PJS.svg) | PJS | 表記: | N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide | 組成式: | C14 H13 Cl F N3 O | SMILES: | Cc1nc(ccn1)C(N(Cc2c(F)cccc2Cl)C)=O | InChi: | InChI=1S/C14H13ClFN3O/c1-9-17-7-6-13(18-9)14(20)19(2)8-10-11(15)4-3-5-12(10)16/h3-7H,8H2,1-2H3 | 定義日: | 2019-08-12 | 最終更新日: | 2020-10-02 | 公開日: | 2020-10-07 | 識別子(ID): | N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide |
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