 | | RIX | | 表記: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate | | 組成式: | C11 H8 Cl N O3 | | SMILES: | COC(=O)C(=O)n1ccc2c(Cl)cccc12 | | InChi: | InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3 | | 定義日: | 2022-11-30 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
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 | | RJ0 | | 表記: | 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one | | 組成式: | C11 H11 N O | | SMILES: | C=CC(=O)N1CCc2ccccc12 | | InChi: | InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2 | | 定義日: | 2022-11-30 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one |
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 | | RL6 | | 表記: | 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone | | 組成式: | C11 H9 Cl2 N O | | SMILES: | CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12 | | InChi: | InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3 | | 定義日: | 2022-12-01 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone |
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 | | 90Q | | 表記: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | | 組成式: | C15 H11 Cl O5 | | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)c(Cl)c3 | | InChi: | InChI=1S/C15H11ClO5/c16-9-3-7(1-2-10(9)18)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,17-19H,6H2/t13-/m1/s1 | | 定義日: | 2021-12-31 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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 | | AUS | | 表記: | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide | | 組成式: | C14 H18 N2 O2 | | SMILES: | O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4 | | InChi: | InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1 | | 定義日: | 2021-12-06 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide |
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 | | DO0 | | 表記: | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione | | 組成式: | C14 H12 N2 O5 | | SMILES: | O=C1NC(=O)CCC1(C)N1C(=O)c2cccc(O)c2C1=O | | InChi: | InChI=1S/C14H12N2O5/c1-14(6-5-9(18)15-13(14)21)16-11(19)7-3-2-4-8(17)10(7)12(16)20/h2-4,17H,5-6H2,1H3,(H,15,18,21)/t14-/m1/s1 | | 定義日: | 2021-11-30 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione |
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 | | DVO | | 表記: | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | | 組成式: | C15 H12 N2 O6 | | SMILES: | O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C1(C)CCC(=O)NC1=O | | InChi: | InChI=1S/C15H12N2O6/c1-15(5-4-10(18)16-14(15)23)17-11(19)8-3-2-7(13(21)22)6-9(8)12(17)20/h2-3,6H,4-5H2,1H3,(H,21,22)(H,16,18,23)/t15-/m1/s1 | | 定義日: | 2021-11-30 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | 2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
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 | | E1I | | 表記: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | 組成式: | C30 H28 Cl N9 O4 | | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | | 定義日: | 2021-12-01 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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 | | E2E | | 表記: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | | 組成式: | C26 H23 Cl2 F N6 O4 | | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | | 定義日: | 2021-12-01 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
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 | | 91C | | 表記: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one | | 組成式: | C15 H10 Cl2 O5 | | SMILES: | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 | | InChi: | InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1 | | 定義日: | 2021-12-31 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
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 | | ECK | | 表記: | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol | | 組成式: | C32 H56 O2 | | SMILES: | CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | | InChi: | InChI=1S/C32H56O2/c1-22(2)9-7-10-23(11-8-18-30(3,4)34)27-14-15-28-26-13-12-24-21-25(33)16-19-31(24,5)29(26)17-20-32(27,28)6/h12,22-23,25-29,33-34H,7-11,13-21H2,1-6H3/t23-,25+,26+,27-,28+,29+,31+,32-/m1/s1 | | 定義日: | 2022-01-05 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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 | | I7Y | | 表記: | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | 組成式: | C45 H74 O15 | | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | | InChi: | InChI=1S/C45H74O15/c1-23-8-14-45(56-20-23)24(2)34-31(60-45)17-30-28-7-6-26-16-27(9-12-43(26,3)29(28)10-13-44(30,34)4)54-15-11-25(21-53-5)22-55-41-39(52)37(50)40(33(19-47)58-41)59-42-38(51)36(49)35(48)32(18-46)57-42/h6,23-25,27-42,46-52H,7-22H2,1-5H3/t23-,24+,25-,27+,28-,29+,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-/m1/s1 | | 定義日: | 2022-01-21 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (2R)-2-(methoxymethyl)-4-{[(25R)-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | AKQ | | 表記: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide | | 組成式: | C17 H18 Cl N5 O2 | | SMILES: | C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O | | InChi: | InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1 | | 別名: | (2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide | | 定義日: | 2021-11-30 | | 最終更新日: | 2022-12-09 | | 公開日: | 2022-12-14 | | 識別子(ID): | (2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
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 | | 7N6 | | 表記: | (2R)-2-hydroxyhexanoic acid | | 組成式: | C6 H12 O3 | | SMILES: | CCCC[CH](O)C(O)=O | | InChi: | InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 | | 定義日: | 2016-11-23 | | 最終更新日: | 2022-12-06 | | 公開日: | 2018-05-09 | | 識別子(ID): | (2~{R})-2-oxidanylhexanoic acid |
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 | | KEC | | 表記: | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile | | 組成式: | C10 H6 Br Cl N2 | | SMILES: | Clc1cc2[nH]cc(CC#N)c2cc1Br | | InChi: | InChI=1S/C10H6BrClN2/c11-8-3-7-6(1-2-13)5-14-10(7)4-9(8)12/h3-5,14H,1H2 | | 定義日: | 2022-05-25 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | 2-(5-bromanyl-6-chloranyl-1~{H}-indol-3-yl)ethanenitrile |
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 | | KTY | | 表記: | desferrioxamine B | | 組成式: | C25 H48 N6 O8 | | SMILES: | C(CCCNC(CCC(N(CCCCCNC(CCC(=O)N(O)CCCCCN)=O)O)=O)=O)CN(O)C(C)=O | | InChi: | InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34) | | 別名: | N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydr
oxybutanediamide | | 定義日: | 2019-01-14 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydroxybutanediamide |
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 | | XG8 | | 表記: | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide | | 組成式: | C13 H14 N2 O3 S3 | | SMILES: | SCC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cccs1 | | InChi: | InChI=1S/C13H14N2O3S3/c14-11(8-19)13(16)15-21(17,18)10-4-1-3-9(7-10)12-5-2-6-20-12/h1-7,11,19H,8,14H2,(H,15,16)/t11-/m0/s1 | | 定義日: | 2022-11-15 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide |
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 | | XGC | | 表記: | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide | | 組成式: | C15 H17 N3 O4 S2 | | SMILES: | COc1ccc(cn1)c1cccc(c1)S(=O)(=O)NC(=O)C(N)CS | | InChi: | InChI=1S/C15H17N3O4S2/c1-22-14-6-5-11(8-17-14)10-3-2-4-12(7-10)24(20,21)18-15(19)13(16)9-23/h2-8,13,23H,9,16H2,1H3,(H,18,19)/t13-/m0/s1 | | 定義日: | 2022-11-15 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide |
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 | | OKU | | 表記: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione | | 組成式: | C35 H36 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35-/m1/s1 | | 定義日: | 2022-09-14 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione |
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 | | OL0 | | 表記: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | 組成式: | C36 H38 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1 | | 定義日: | 2022-09-14 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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 | | Z6G | | 表記: | 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose | | 組成式: | C6 H14 N O3 | | SMILES: | OC1C(OC(O)CC1[NH3+])C | | InChi: | InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/p+1/t3-,4-,5+,6-/m0/s1 | | 定義日: | 2012-12-17 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose |
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 | | YBM | | 表記: | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid | | 組成式: | C11 H18 N5 O5 P | | SMILES: | O=P(O)(O)CCC(CO)NCc1c[NH]c2c(O)nc(N)nc21 | | InChi: | InChI=1S/C11H18N5O5P/c12-11-15-8-6(4-14-9(8)10(18)16-11)3-13-7(5-17)1-2-22(19,20)21/h4,7,13-14,17H,1-3,5H2,(H2,19,20,21)(H3,12,15,16,18)/t7-/m0/s1 | | 定義日: | 2022-02-04 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | [(3S)-3-{[(2-amino-4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-4-hydroxybutyl]phosphonic acid |
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 | | KZR | | 表記: | N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | 組成式: | C23 H39 N5 O | | SMILES: | CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1 | | InChi: | InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26) | | 定義日: | 2022-02-25 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide |
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 | | NSW | | 表記: | 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | | 組成式: | C25 H21 N4 O3 | | SMILES: | Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c5ccc(O)cc5)cc1 | | InChi: | InChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2/p+1 | | 定義日: | 2019-12-12 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-1~{H}-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-one |
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 | | OP9 | | 表記: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | | 組成式: | C35 H36 N6 O5 | | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2 | | InChi: | InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35+/m1/s1 | | 定義日: | 2022-09-16 | | 最終更新日: | 2022-12-02 | | 公開日: | 2022-12-07 | | 識別子(ID): | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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