![J3X J3X](https://data.pdbj.org/pdbjplus/data/cc/svg/J3X.svg) | J3X | 表記: | 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one | 組成式: | C14 H16 Br Cl N2 O3 S | SMILES: | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3 | InChi: | InChI=1S/C14H16BrClN2O3S/c15-11-2-1-10(21-11)8-18-13(20)9-22-14(18)3-5-17(6-4-14)12(19)7-16/h1-2H,3-9H2 | 定義日: | 2021-04-02 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 4-[(5-bromanylfuran-2-yl)methyl]-8-(2-chloranylethanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
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![J50 J50](https://data.pdbj.org/pdbjplus/data/cc/svg/J50.svg) | J50 | 表記: | 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one | 組成式: | C20 H21 Cl N2 O3 S | SMILES: | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4ccccc4 | InChi: | InChI=1S/C20H21ClN2O3S/c21-12-18(24)22-10-8-20(9-11-22)23(19(25)14-27-20)13-16-6-7-17(26-16)15-4-2-1-3-5-15/h1-7H,8-14H2 | 定義日: | 2021-04-09 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 8-(2-chloranylethanoyl)-4-[(5-phenylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one |
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![GMI GMI](https://data.pdbj.org/pdbjplus/data/cc/svg/GMI.svg) | GMI | 表記: | [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid | 組成式: | C13 H21 N4 O6 P2 S | SMILES: | O=P(O)(O)CP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C | InChi: | InChI=1S/C13H20N4O6P2S/c1-9-12(3-4-23-25(21,22)8-24(18,19)20)26-7-17(9)6-11-5-15-10(2)16-13(11)14/h5,7H,3-4,6,8H2,1-2H3,(H4-,14,15,16,18,19,20,21,22)/p+1 | 定義日: | 2022-01-03 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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![7YH 7YH](https://data.pdbj.org/pdbjplus/data/cc/svg/7YH.svg) | 7YH | 表記: | 2-[[(2R)-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium | 組成式: | C29 H49 Br I N O8 P | SMILES: | CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)c1cc(Br)cc(I)c1 | InChi: | InChI=1S/C29H48BrINO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-28(33)37-22-27(23-39-41(35,36)38-18-17-32(2,3)4)40-29(34)24-19-25(30)21-26(31)20-24/h19-21,27H,5-18,22-23H2,1-4H3/p+1/t27-/m1/s1 | 定義日: | 2021-11-02 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 2-[[(2~{R})-2-(3-bromanyl-5-iodanyl-phenyl)carbonyloxy-3-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium |
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![6I4 6I4](https://data.pdbj.org/pdbjplus/data/cc/svg/6I4.svg) | 6I4 | 表記: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole | 組成式: | C15 H14 N2 | SMILES: | Cc1ccc2c([nH]c3c(cccc23)C4CC4)n1 | InChi: | InChI=1S/C15H14N2/c1-9-5-8-13-12-4-2-3-11(10-6-7-10)14(12)17-15(13)16-9/h2-5,8,10H,6-7H2,1H3,(H,16,17) | 定義日: | 2021-09-13 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole |
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![11I 11I](https://data.pdbj.org/pdbjplus/data/cc/svg/11I.svg) | 11I | 表記: | methyl (Z)-4-(4-(4-chlorobenzyl)-1-(2-methylbenzyl)piperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | 組成式: | C25 H28 Cl N O4 | SMILES: | COC(=O)C(O)=CC(=O)C1(CCN(CC1)Cc2ccccc2C)Cc3ccc(Cl)cc3 | InChi: | InChI=1S/C25H28ClNO4/c1-18-5-3-4-6-20(18)17-27-13-11-25(12-14-27,16-19-7-9-21(26)10-8-19)23(29)15-22(28)24(30)31-2/h3-10,15,28H,11-14,16-17H2,1-2H3/b22-15- | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | methyl (~{Z})-4-[4-[(4-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![AT9 AT9](https://data.pdbj.org/pdbjplus/data/cc/svg/AT9.svg) | AT9 | 表記: | [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | 組成式: | C11 H17 F N5 O13 P3 | SMILES: | C[C]1(F)[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C11H17FN5O13P3/c1-11(12)6(18)4(2-27-32(23,24)30-33(25,26)29-31(20,21)22)28-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1 | 別名: | AT-9010 | 定義日: | 2021-03-16 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![5ZP 5ZP](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZP.svg) | 5ZP | 表記: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide | 組成式: | C31 H33 N5 O2 | SMILES: | CC(C)[CH](CC(=O)N[CH](C)c1ccccc1)c2oc(nn2)c3cc4c([nH]c5c(cccc45)C6CC6)nc3C | InChi: | InChI=1S/C31H33N5O2/c1-17(2)24(16-27(37)32-18(3)20-9-6-5-7-10-20)30-35-36-31(38-30)25-15-26-23-12-8-11-22(21-13-14-21)28(23)34-29(26)33-19(25)4/h5-12,15,17-18,21,24H,13-14,16H2,1-4H3,(H,32,37)(H,33,34)/t18-,24+/m1/s1 | 定義日: | 2021-09-07 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide |
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![67V 67V](https://data.pdbj.org/pdbjplus/data/cc/svg/67V.svg) | 67V | 表記: | methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate | 組成式: | C17 H16 N2 O2 | SMILES: | COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C | InChi: | InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19) | 定義日: | 2021-09-10 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | methyl 8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole-3-carboxylate |
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![BKF BKF](https://data.pdbj.org/pdbjplus/data/cc/svg/BKF.svg) | BKF | 表記: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate | 組成式: | C32 H43 Cl N2 O9 | SMILES: | C3C(C4(C)C(C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C | InChi: | InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9-,18-10-/t19-,23-,24+,25-,28-,31-,32-/m0/s1 | 定義日: | 2019-02-12 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate |
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![U28 U28](https://data.pdbj.org/pdbjplus/data/cc/svg/U28.svg) | U28 | 表記: | methyl (Z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate | 組成式: | C19 H24 Cl N O4 | SMILES: | CCC1(CCN(CC1)Cc2cccc(Cl)c2)C(=O)C=C(O)C(=O)OC | InChi: | InChI=1S/C19H24ClNO4/c1-3-19(17(23)12-16(22)18(24)25-2)7-9-21(10-8-19)13-14-5-4-6-15(20)11-14/h4-6,11-12,22H,3,7-10,13H2,1-2H3/b16-12- | 定義日: | 2021-06-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-ethyl-piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate |
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![J5X J5X](https://data.pdbj.org/pdbjplus/data/cc/svg/J5X.svg) | J5X | 表記: | Gibberellin A9 | 組成式: | C19 H24 O4 | SMILES: | C[C]12CCC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O | InChi: | InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1 | 定義日: | 2021-04-13 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 |
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![J9L J9L](https://data.pdbj.org/pdbjplus/data/cc/svg/J9L.svg) | J9L | 表記: | (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one | 組成式: | C15 H17 N3 O2 | SMILES: | CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(C)c23 | InChi: | InChI=1S/C15H17N3O2/c1-8-5-4-6-11-12(8)10(7-17-11)9(2)13-14(19)18-15(16-3)20-13/h4-7,9,13,17H,1-3H3,(H,16,18,19)/t9-,13+/m1/s1 | 定義日: | 2021-04-28 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (5~{S})-2-(methylamino)-5-[(1~{R})-1-(4-methyl-1~{H}-indol-3-yl)ethyl]-1,3-oxazol-4-one |
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![JE0 JE0](https://data.pdbj.org/pdbjplus/data/cc/svg/JE0.svg) | JE0 | 表記: | (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one | 組成式: | C14 H14 Cl N3 O2 | SMILES: | CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(Cl)c23 | InChi: | InChI=1S/C14H14ClN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1 | 定義日: | 2021-05-21 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (5~{S})-5-[(1~{R})-1-(4-chloranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one |
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![JE3 JE3](https://data.pdbj.org/pdbjplus/data/cc/svg/JE3.svg) | JE3 | 表記: | (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one | 組成式: | C14 H14 F N3 O2 | SMILES: | CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(F)c23 | InChi: | InChI=1S/C14H14FN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1 | 定義日: | 2021-05-21 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (5~{S})-5-[(1~{R})-1-(4-fluoranyl-1~{H}-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one |
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![JE9 JE9](https://data.pdbj.org/pdbjplus/data/cc/svg/JE9.svg) | JE9 | 表記: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate | 組成式: | C27 H26 F N5 O5 | SMILES: | CN(C)C(=O)Oc1ccn2c(cc(C(=O)Nc3cc(CO)cc(c3F)c4cnn(c4)C5CC5)c2c1)C(C)=O | InChi: | InChI=1S/C27H26FN5O5/c1-15(35)23-11-21(24-10-19(6-7-32(23)24)38-27(37)31(2)3)26(36)30-22-9-16(14-34)8-20(25(22)28)17-12-29-33(13-17)18-4-5-18/h6-13,18,34H,4-5,14H2,1-3H3,(H,30,36) | 定義日: | 2021-05-26 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | [1-[[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-(hydroxymethyl)phenyl]carbamoyl]-3-ethanoyl-indolizin-7-yl] ~{N},~{N}-dimethylcarbamate |
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![V8K V8K](https://data.pdbj.org/pdbjplus/data/cc/svg/V8K.svg) | V8K | 表記: | Dolichylphosphate | 組成式: | C55 H91 O4 P | SMILES: | C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1 | 定義日: | 2021-04-29 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | [(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
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![8JY 8JY](https://data.pdbj.org/pdbjplus/data/cc/svg/8JY.svg) | 8JY | 表記: | [2-[[(2~{R})-2-hexanoyloxy-3-[(~{E})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{E},4~{E})-hepta-2,4-dienoate | 組成式: | C28 H47 O13 P | SMILES: | CCCCCCOC[CH](CO[P](O)(=O)Oc1c(O)c(O)c(O)c(O)c1OC(=O)CCCCCC)OC(=O)CCCCC | InChi: | InChI=1S/C28H47O13P/c1-4-7-10-13-16-22(30)40-27-25(33)23(31)24(32)26(34)28(27)41-42(35,36)38-19-20(18-37-17-14-11-8-5-2)39-21(29)15-12-9-6-3/h20,31-34H,4-19H2,1-3H3,(H,35,36)/t20-/m1/s1 | 定義日: | 2021-12-20 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | [2-[[(2~{R})-2-hexanoyloxy-3-hexoxy-propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] heptanoate |
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![VTY VTY](https://data.pdbj.org/pdbjplus/data/cc/svg/VTY.svg) | VTY | 表記: | (5S)-5-hydroxy-3-methylfuran-2(5H)-one | 組成式: | C5 H6 O3 | SMILES: | CC1=CC(OC1=O)O | InChi: | InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1 | 定義日: | 2020-09-14 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (5S)-5-hydroxy-3-methylfuran-2(5H)-one |
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![0BF 0BF](https://data.pdbj.org/pdbjplus/data/cc/svg/0BF.svg) | 0BF | 表記: | 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one | 組成式: | C24 H23 Cl N2 O3 S | SMILES: | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45 | InChi: | InChI=1S/C24H23ClN2O3S/c25-14-22(28)26-12-10-24(11-13-26)27(23(29)16-31-24)15-18-8-9-21(30-18)20-7-3-5-17-4-1-2-6-19(17)20/h1-9H,10-16H2 | 定義日: | 2021-06-08 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one |
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![NY9 NY9](https://data.pdbj.org/pdbjplus/data/cc/svg/NY9.svg) | NY9 | 表記: | N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea | 組成式: | C23 H28 N4 O3 | SMILES: | CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cccnc1)=C2C | InChi: | InChI=1S/C23H28N4O3/c1-4-27(5-2)18-8-9-19-16(3)20(22(28)30-21(19)13-18)10-12-25-23(29)26-15-17-7-6-11-24-14-17/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3,(H2,25,26,29) | 定義日: | 2021-08-17 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea |
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![Y37 Y37](https://data.pdbj.org/pdbjplus/data/cc/svg/Y37.svg) | Y37 | 表記: | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid | 組成式: | C14 H18 F N2 O7 P | SMILES: | C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F | InChi: | InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1 | 定義日: | 2021-02-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid |
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![Y3D Y3D](https://data.pdbj.org/pdbjplus/data/cc/svg/Y3D.svg) | Y3D | 表記: | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid | 組成式: | C14 H17 N2 O8 P | SMILES: | [C@H](c1c(cnc(C)c1O)COP(=O)(O)O)=NC2CC(CC2=O)C(O)=O | InChi: | InChI=1S/C14H17N2O8P/c1-7-13(18)10(9(4-15-7)6-24-25(21,22)23)5-16-11-2-8(14(19)20)3-12(11)17/h4-5,8,11,18H,2-3,6H2,1H3,(H,19,20)(H2,21,22,23)/b16-5+/t8-,11+/m1/s1 | 定義日: | 2021-02-01 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid |
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![YA7 YA7](https://data.pdbj.org/pdbjplus/data/cc/svg/YA7.svg) | YA7 | 表記: | N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide | 組成式: | C26 H29 N5 O5 S | SMILES: | COc1ncc(cc1N[S](C)(=O)=O)c2cc(cc3C(=O)NCc23)c4ccnc(c4)N5C[CH](C)O[CH](C)C5 | InChi: | InChI=1S/C26H29N5O5S/c1-15-13-31(14-16(2)36-15)24-10-17(5-6-27-24)18-7-20(22-12-28-25(32)21(22)8-18)19-9-23(30-37(4,33)34)26(35-3)29-11-19/h5-11,15-16,30H,12-14H2,1-4H3,(H,28,32)/t15-,16+ | 定義日: | 2021-02-15 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | ~{N}-[5-[6-[2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyridin-4-yl]-1-oxidanylidene-2,3-dihydroisoindol-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide |
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![YAD YAD](https://data.pdbj.org/pdbjplus/data/cc/svg/YAD.svg) | YAD | 表記: | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate | 組成式: | C24 H25 N5 O5 | SMILES: | OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccncc4 | InChi: | InChI=1S/C24H25N5O5/c30-20-19(22(31)26-13-10-16-8-11-25-12-9-16)27-21(28-23(20)32)18-7-4-14-29(18)24(33)34-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,18,30H,4,7,10,13-15H2,(H,26,31)(H,27,28,32)/t18-/m0/s1 | 定義日: | 2021-02-15 | 最終更新日: | 2022-02-11 | 公開日: | 2022-02-16 | 識別子(ID): | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate |
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