![LVR LVR](https://data.pdbj.org/pdbjplus/data/cc/svg/LVR.svg) | LVR | 表記: | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol | 組成式: | C22 H30 N5 O8 P | SMILES: | O=P(O)(O)OCC(O)C(O)CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O | InChi: | InChI=1S/C22H30N5O8P/c23-5-8-26-15-1-2-16(20-19(15)21(30)13-3-6-25-11-14(13)22(20)31)27-10-9-24-7-4-17(28)18(29)12-35-36(32,33)34/h1-3,6,11,17-18,24,26-29H,4-5,7-10,12,23H2,(H2,32,33,34)/t17-,18-/m0/s1 | 定義日: | 2022-03-07 | 最終更新日: | 2023-03-21 | 公開日: | 2023-03-15 | 識別子(ID): | 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
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![V3U V3U](https://data.pdbj.org/pdbjplus/data/cc/svg/V3U.svg) | V3U | 表記: | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one | 組成式: | C8 H10 Br N O2 | SMILES: | COCCN1C=CC(=CC1=O)Br | InChi: | InChI=1S/C8H10BrNO2/c1-12-5-4-10-3-2-7(9)6-8(10)11/h2-3,6H,4-5H2,1H3 | 定義日: | 2023-02-21 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one |
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![YSW YSW](https://data.pdbj.org/pdbjplus/data/cc/svg/YSW.svg) | YSW | 表記: | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate | 組成式: | C29 H58 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m0/s1 | 定義日: | 2023-02-17 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate |
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![Z3N Z3N](https://data.pdbj.org/pdbjplus/data/cc/svg/Z3N.svg) | Z3N | 表記: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one | 組成式: | C30 H34 F3 N5 O | SMILES: | Cn1cnnc1C1(CC(C)C1)c1cc(ccc1)N1Cc2c(cc(cc2C(F)(F)F)CN2CCCC(C)C2)C1=O | InChi: | InChI=1S/C30H34F3N5O/c1-19-6-5-9-37(15-19)16-21-10-24-25(26(11-21)30(31,32)33)17-38(27(24)39)23-8-4-7-22(12-23)29(13-20(2)14-29)28-35-34-18-36(28)3/h4,7-8,10-12,18-20H,5-6,9,13-17H2,1-3H3/t19-,20-,29+/m0/s1 | 定義日: | 2023-03-06 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one |
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![WO9 WO9](https://data.pdbj.org/pdbjplus/data/cc/svg/WO9.svg) | WO9 | 表記: | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate | 組成式: | C34 H68 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC | InChi: | InChI=1S/C34H68NO8P/c1-3-5-7-9-11-13-14-15-16-17-19-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35)43-34(37)27-25-23-21-18-12-10-8-6-4-2/h32H,3-31,35H2,1-2H3,(H,38,39)/t32-/m1/s1 | 定義日: | 2022-10-04 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate |
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![X3D X3D](https://data.pdbj.org/pdbjplus/data/cc/svg/X3D.svg) | X3D | 表記: | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate | 組成式: | C30 H60 N O8 P | SMILES: | NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC | InChi: | InChI=1S/C30H60NO8P/c1-3-5-7-9-11-13-14-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37-25-24-31)26-36-29(32)22-20-18-16-12-10-8-6-4-2/h28H,3-27,31H2,1-2H3,(H,34,35)/t28-/m0/s1 | 定義日: | 2022-10-26 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate |
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![I9U I9U](https://data.pdbj.org/pdbjplus/data/cc/svg/I9U.svg) | I9U | 表記: | 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide | 組成式: | C20 H20 F2 N4 O2 | SMILES: | Cc1cc(C)n(n1)c2cc(F)c(CC(=O)Nc3noc4CCCCc34)c(F)c2 | InChi: | InChI=1S/C20H20F2N4O2/c1-11-7-12(2)26(24-11)13-8-16(21)15(17(22)9-13)10-19(27)23-20-14-5-3-4-6-18(14)28-25-20/h7-9H,3-6,10H2,1-2H3,(H,23,25,27) | 定義日: | 2022-03-03 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 2-[4-(3,5-dimethylpyrazol-1-yl)-2,6-bis(fluoranyl)phenyl]-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)ethanamide |
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![IBW IBW](https://data.pdbj.org/pdbjplus/data/cc/svg/IBW.svg) | IBW | 表記: | 1-[(5R,8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C41 H62 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)[CH](CC3CCCCC3)NC(=O)[CH](CCCCNC(=O)[CH](Cc4cccc(CN)c4)NC1=O)NC(N)=N)c2 | InChi: | InChI=1S/C41H62N10O5/c42-18-6-4-16-32-39(55)50-35(23-28-12-8-14-30(20-28)25-43)37(53)46-19-7-5-17-33(51-41(44)45)40(56)49-34(22-27-10-2-1-3-11-27)38(54)47-26-31-15-9-13-29(21-31)24-36(52)48-32/h8-9,12-15,20-21,27,32-35H,1-7,10-11,16-19,22-26,42-43H2,(H,46,53)(H,47,54)(H,48,52)(H,49,56)(H,50,55)(H4,44,45,51)/t32-,33+,34+,35-/m0/s1 | 定義日: | 2022-03-08 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(5~{R},8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-5-(cyclohexylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![OE3 OE3](https://data.pdbj.org/pdbjplus/data/cc/svg/OE3.svg) | OE3 | 表記: | ~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide | 組成式: | C19 H20 N2 O3 S | SMILES: | CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 | InChi: | InChI=1S/C19H20N2O3S/c1-3-21-18-10-9-15(12-17(18)14(2)11-19(21)22)13-20-25(23,24)16-7-5-4-6-8-16/h4-12,20H,3,13H2,1-2H3 | 定義日: | 2022-09-06 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | ~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
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![OTI OTI](https://data.pdbj.org/pdbjplus/data/cc/svg/OTI.svg) | OTI | 表記: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid | 組成式: | C29 H35 F N6 O5 S | SMILES: | CCOC(=O)C1=C(CN2CCN3[CH](C2)CN(CC(C)(C)C(O)=O)C3=O)NC(=N[CH]1c4cccc(F)c4C)c5sccn5 | InChi: | InChI=1S/C29H35FN6O5S/c1-5-41-26(37)22-21(15-34-10-11-36-18(13-34)14-35(28(36)40)16-29(3,4)27(38)39)32-24(25-31-9-12-42-25)33-23(22)19-7-6-8-20(30)17(19)2/h6-9,12,18,23H,5,10-11,13-16H2,1-4H3,(H,32,33)(H,38,39)/t18-,23?/m0/s1 | 別名: | Linvencorvir | 定義日: | 2023-02-10 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid |
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![JN9 JN9](https://data.pdbj.org/pdbjplus/data/cc/svg/JN9.svg) | JN9 | 表記: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C42 H60 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCCC5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | InChi: | InChI=1S/C42H60N10O5/c43-19-8-6-17-33-38(54)46-20-9-7-18-34(52-42(44)45)40(56)51-35(22-27-11-2-1-3-12-27)39(55)48-25-29-14-10-13-28(21-29)23-37(53)49-36(41(57)50-33)24-30-26-47-32-16-5-4-15-31(30)32/h4-5,10,13-16,21,26-27,33-36,47H,1-3,6-9,11-12,17-20,22-25,43H2,(H,46,54)(H,48,55)(H,49,53)(H,50,57)(H,51,56)(H4,44,45,52)/t33-,34+,35+,36-/m0/s1 | 別名: | (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL | 定義日: | 2022-05-06 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(5~{R},8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(1~{H}-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![JQ9 JQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/JQ9.svg) | JQ9 | 表記: | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione | 組成式: | C20 H24 N4 O4 | SMILES: | CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O | InChi: | InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+ | 別名: | istradefylline | 定義日: | 2022-08-25 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione |
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![JQR JQR](https://data.pdbj.org/pdbjplus/data/cc/svg/JQR.svg) | JQR | 表記: | ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide | 組成式: | C20 H19 N3 O4 S | SMILES: | Cc1ccc(cn1)C(=O)Nc2sc(C(=O)C3CCOCC3)c(n2)c4occc4 | InChi: | InChI=1S/C20H19N3O4S/c1-12-4-5-14(11-21-12)19(25)23-20-22-16(15-3-2-8-27-15)18(28-20)17(24)13-6-9-26-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,22,23,25) | 定義日: | 2022-08-25 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | ~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide |
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![JVC JVC](https://data.pdbj.org/pdbjplus/data/cc/svg/JVC.svg) | JVC | 表記: | 1-[(8R,15S,18S)-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C34 H50 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CNC(=O)[CH](CCCCNC(=O)[CH](Cc3cccc(CN)c3)NC1=O)NC(N)=N)c2 | InChi: | InChI=1S/C34H50N10O5/c35-13-3-1-11-27-33(49)43-28(17-22-7-5-9-24(15-22)19-36)32(48)39-14-4-2-12-26(44-34(37)38)31(47)41-21-30(46)40-20-25-10-6-8-23(16-25)18-29(45)42-27/h5-10,15-16,26-28H,1-4,11-14,17-21,35-36H2,(H,39,48)(H,40,46)(H,41,47)(H,42,45)(H,43,49)(H4,37,38,44)/t26-,27+,28+/m1/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-[[3-(aminomethyl)phenyl]methyl]-18-(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![JVL JVL](https://data.pdbj.org/pdbjplus/data/cc/svg/JVL.svg) | JVL | 表記: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C35 H48 N10 O5 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | InChi: | InChI=1S/C35H48N10O5/c36-14-5-3-12-27-32(48)39-15-6-4-13-28(45-35(37)38)33(49)42-21-31(47)41-19-23-9-7-8-22(16-23)17-30(46)43-29(34(50)44-27)18-24-20-40-26-11-2-1-10-25(24)26/h1-2,7-11,16,20,27-29,40H,3-6,12-15,17-19,21,36H2,(H,39,48)(H,41,47)(H,42,49)(H,43,46)(H,44,50)(H4,37,38,45)/t27-,28+,29-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(1~{H}-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![JVU JVU](https://data.pdbj.org/pdbjplus/data/cc/svg/JVU.svg) | JVU | 表記: | 1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C44 H61 N9 O5 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCCC5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 | InChi: | InChI=1S/C44H61N9O5/c45-21-8-6-17-35-40(55)48-22-9-7-18-36(53-44(46)47)42(57)52-37(25-29-11-2-1-3-12-29)41(56)49-28-32-14-10-13-30(23-32)27-39(54)50-38(43(58)51-35)26-31-19-20-33-15-4-5-16-34(33)24-31/h4-5,10,13-16,19-20,23-24,29,35-38H,1-3,6-9,11-12,17-18,21-22,25-28,45H2,(H,48,55)(H,49,56)(H,50,54)(H,51,58)(H,52,57)(H4,46,47,53)/t35-,36+,37+,38-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(5~{R},8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![JW6 JW6](https://data.pdbj.org/pdbjplus/data/cc/svg/JW6.svg) | JW6 | 表記: | 1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine | 組成式: | C33 H48 N10 O6 | SMILES: | NCCCC[CH]1NC(=O)[CH](Cc2ccc(O)c(N)c2)NC(=O)Cc3cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N)=N)c3 | InChi: | InChI=1S/C33H48N10O6/c34-12-3-1-8-24-30(47)38-13-4-2-9-25(43-33(36)37)31(48)40-19-29(46)39-18-22-7-5-6-20(14-22)17-28(45)41-26(32(49)42-24)16-21-10-11-27(44)23(35)15-21/h5-7,10-11,14-15,24-26,44H,1-4,8-9,12-13,16-19,34-35H2,(H,38,47)(H,39,46)(H,40,48)(H,41,45)(H,42,49)(H4,36,37,43)/t24-,25+,26-/m0/s1 | 定義日: | 2022-05-11 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
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![7IX 7IX](https://data.pdbj.org/pdbjplus/data/cc/svg/7IX.svg) | 7IX | 表記: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol | 組成式: | C27 H29 F3 N6 O3 S | SMILES: | COc1cc(nnc1OC)c2ccc(CN[CH]3C[CH](O)[CH](C3)N(C)c4ncnc5sc(CC(F)(F)F)cc45)cc2 | InChi: | InChI=1S/C27H29F3N6O3S/c1-36(24-19-10-18(12-27(28,29)30)40-26(19)33-14-32-24)21-8-17(9-22(21)37)31-13-15-4-6-16(7-5-15)20-11-23(38-2)25(39-3)35-34-20/h4-7,10-11,14,17,21-22,31,37H,8-9,12-13H2,1-3H3/t17-,21+,22-/m1/s1 | 定義日: | 2022-02-21 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | (1~{R},2~{S},4~{R})-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol |
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![7PO 7PO](https://data.pdbj.org/pdbjplus/data/cc/svg/7PO.svg) | 7PO | 表記: | hexacosanoic acid | 組成式: | C26 H52 O2 | SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O | InChi: | InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28) | 定義日: | 2022-02-22 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | hexacosanoic acid |
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![7TT 7TT](https://data.pdbj.org/pdbjplus/data/cc/svg/7TT.svg) | 7TT | 表記: | Tetraphosphate | 組成式: | H6 O13 P4 | SMILES: | O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/H6O13P4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6) | 別名: | [oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate | 定義日: | 2021-09-01 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | [oxidanyl(phosphonooxy)phosphoryl] phosphono hydrogen phosphate |
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![K9G K9G](https://data.pdbj.org/pdbjplus/data/cc/svg/K9G.svg) | K9G | 表記: | [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate | 組成式: | C42 H83 N O8 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC | InChi: | InChI=1S/C42H83NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3,(H,46,47)/t40-/m1/s1 | 定義日: | 2018-11-13 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | [(2~{R})-1-hexadecanoyloxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propan-2-yl] octadec-9-enoate |
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![Q83 Q83](https://data.pdbj.org/pdbjplus/data/cc/svg/Q83.svg) | Q83 | 表記: | 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid | 組成式: | C15 H18 N2 O5 | SMILES: | OC(=O)CCCCCC(=O)N1CCc2ccc(cc12)[N](=O)=O | InChi: | InChI=1S/C15H18N2O5/c18-14(4-2-1-3-5-15(19)20)16-9-8-11-6-7-12(17(21)22)10-13(11)16/h6-7,10H,1-5,8-9H2,(H,19,20) | 定義日: | 2022-10-14 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid |
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![LW0 LW0](https://data.pdbj.org/pdbjplus/data/cc/svg/LW0.svg) | LW0 | 表記: | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide | 組成式: | C17 H14 F N5 O | SMILES: | Fc1cccc(c1)C(=O)NC1CC(c2nnn[NH]2)c2ccccc12 | InChi: | InChI=1S/C17H14FN5O/c18-11-5-3-4-10(8-11)17(24)19-15-9-14(16-20-22-23-21-16)12-6-1-2-7-13(12)15/h1-8,14-15H,9H2,(H,19,24)(H,20,21,22,23)/t14-,15+/m0/s1 | 定義日: | 2022-03-08 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide |
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![LZN LZN](https://data.pdbj.org/pdbjplus/data/cc/svg/LZN.svg) | LZN | 表記: | 6-[(cyclopropanecarbonyl)amino]-4-{[(4M)-3-methoxy-4-(1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}-N-methylpyridazine-3-carboxamide | 組成式: | C19 H21 N9 O3 | SMILES: | Cn1cnc(n1)c1ccnc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c1OC | InChi: | InChI=1S/C19H21N9O3/c1-20-19(30)14-12(8-13(25-26-14)24-18(29)10-4-5-10)23-17-15(31-3)11(6-7-21-17)16-22-9-28(2)27-16/h6-10H,4-5H2,1-3H3,(H,20,30)(H2,21,23,24,25,29) | 定義日: | 2022-03-09 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | 6-[(cyclopropanecarbonyl)amino]-4-{[(4M)-3-methoxy-4-(1-methyl-1H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}-N-methylpyridazine-3-carboxamide |
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![QNX QNX](https://data.pdbj.org/pdbjplus/data/cc/svg/QNX.svg) | QNX | 表記: | [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate | 組成式: | C14 H22 N4 O9 P2 | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O | InChi: | InChI=1S/C14H22N4O9P2/c1-9-14(19)13(10(3-16-9)6-26-28(20,21)22)5-17-12(7-27-29(23,24)25)2-11-4-15-8-18-11/h3-4,8,12,17,19H,2,5-7H2,1H3,(H,15,18)(H2,20,21,22)(H2,23,24,25)/t12-/m0/s1 | 定義日: | 2022-11-09 | 最終更新日: | 2023-03-17 | 公開日: | 2023-03-22 | 識別子(ID): | [(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate |
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