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ZP7
ZP7
表記:(2S)-2,3-dihydroxypropyl hexadecanoate
組成式:C19 H38 O4
SMILES:OCC(O)COC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m0/s1
定義日:2021-05-18
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:(2S)-2,3-dihydroxypropyl hexadecanoate
ZPD
ZPD
表記:(4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate
組成式:C39 H79 O8 P
SMILES:OC1C(CC(OP(=O)(O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(O)C1O)CO
InChi:InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)47-36-28-35(29-40)37(41)39(43)38(36)42/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31-,32-,33+,34-,35+,36+,37+,38+,39-/m0/s1
定義日:2021-05-18
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:(4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate
ZQ4
ZQ4
表記:2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
組成式:C39 H79 O8 P
SMILES:OP(=O)(CC1OC(CO)C(O)C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC
InChi:InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)29-36-38(42)39(43)37(41)35(28-40)47-36/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1
定義日:2021-05-19
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
ZQ7
ZQ7
表記:2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
組成式:C39 H77 F2 O8 P
SMILES:OP(=O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O
InChi:InChI=1S/C39H77F2O8P/c1-7-8-9-10-11-17-29(2)18-12-19-30(3)20-13-21-31(4)22-14-23-32(5)24-15-25-33(6)26-16-27-48-50(46,47)39(40,41)38-37(45)36(44)35(43)34(28-42)49-38/h29-38,42-45H,7-28H2,1-6H3,(H,46,47)/t29-,30-,31-,32-,33-,34+,35+,36-,37-,38+/m0/s1
定義日:2021-05-19
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
ZR1
ZR1
表記:(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
組成式:C22 H23 F3 N4 O3
SMILES:FC(F)c1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNCCc2c1F
InChi:InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1
定義日:2021-05-21
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:(1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
ZR4
ZR4
表記:7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
組成式:C17 H16 Cl F N4 O4
SMILES:Clc1ccc(cc1F)C(O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C17H16ClFN4O4/c18-9-2-1-7(5-10(9)19)11(24)14-12(25)13(26)17(27-14)23-4-3-8-15(20)21-6-22-16(8)23/h1-6,11-14,17,24-26H,(H2,20,21,22)/t11-,12+,13-,14-,17-/m1/s1
定義日:2021-05-21
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
YNG
YNG
表記:7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide
組成式:C42 H38 N12 O8
SMILES:NC=1N=CN(CC2CN(c3cc(O)c4[NH]cc(C)c4c32)C(=O)c2cc3c([NH]2)c(OC)c(O)c2c3CCN2C(=O)c2[NH]c3c(OC)c(O)c4c(CCN4C(N)=O)c3c2)C2=NC=NC2=1
InChi:InChI=1S/C42H38N12O8/c1-16-11-45-30-25(55)10-24-27(26(16)30)17(12-51-15-48-38(43)31-39(51)47-14-46-31)13-54(24)41(59)23-9-20-18-4-6-52(32(18)34(56)36(61-2)28(20)50-23)40(58)22-8-21-19-5-7-53(42(44)60)33(19)35(57)37(62-3)29(21)49-22/h8-11,14-15,17,45,49-50,55-57H,4-7,12-13,43H2,1-3H3,(H2,44,60)/t17-/m1/s1
定義日:2021-03-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:7-{7-[(1R)-1-{[(4P)-6-amino-3H-purin-3-yl]methyl}-5-hydroxy-8-methyl-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl]-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carbonyl}-4-hydroxy-5-methoxy-1,6-dihydropyrrolo[3,2-e]indole-3(2H)-carboxamide
YNY
YNY
表記:methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
組成式:C30 H28 N8 O7
SMILES:COc1cc2cc([NH]c2c(OC)c1OC)C(=O)N1CC(CN2C=NC(N)=C3N=CN=C32)c2c1cc(O)c1[NH]c(cc12)C(=O)OC
InChi:InChI=1S/C30H28N8O7/c1-42-20-6-13-5-16(35-22(13)26(44-3)25(20)43-2)29(40)38-10-14(9-37-12-34-27(31)24-28(37)33-11-32-24)21-15-7-17(30(41)45-4)36-23(15)19(39)8-18(21)38/h5-8,11-12,14,35-36,39H,9-10,31H2,1-4H3/t14-/m1/s1
定義日:2021-03-15
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:methyl (8R)-8-{[(4P)-6-amino-3H-purin-3-yl]methyl}-4-hydroxy-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
YA3
YA3
表記:2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide
組成式:C41 H41 Cl N12 O6 S
SMILES:Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C
InChi:InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1
定義日:2020-05-11
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide
YB7
YB7
表記:~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide
組成式:C18 H18 F3 N5 O2 S
SMILES:Cc1cc([nH]c1C(=O)N[CH](CN)c2sc(CO)cn2)c3ccc(cn3)C(F)(F)F
InChi:InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1
定義日:2021-02-15
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl)pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide
YBA
YBA
表記:~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide
組成式:C18 H16 F4 N4 O2 S
SMILES:NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(c(F)c2)C(F)(F)F)c3scc(CO)n3
InChi:InChI=1S/C18H16F4N4O2S/c19-12-5-9(1-2-11(12)18(20,21)22)13-3-4-14(25-13)16(28)26-15(6-23)17-24-10(7-27)8-29-17/h1-5,8,15,25,27H,6-7,23H2,(H,26,28)/t15-/m0/s1
定義日:2021-02-15
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide
YBD
YBD
表記:~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide
組成式:C17 H16 Cl F N4 O2 S
SMILES:NC[CH](NC(=O)c1[nH]c(cc1)c2ccc(Cl)c(F)c2)c3sc(CO)cn3
InChi:InChI=1S/C17H16ClFN4O2S/c18-11-2-1-9(5-12(11)19)13-3-4-14(22-13)16(25)23-15(6-20)17-21-7-10(8-24)26-17/h1-5,7,15,22,24H,6,8,20H2,(H,23,25)/t15-/m1/s1
定義日:2021-02-16
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide
ZL1
ZL1
表記:N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
組成式:C27 H20 F2 N4 O4
SMILES:O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=CN(c2ccc(F)cc2)C1=O)C1CC1
InChi:InChI=1S/C27H20F2N4O4/c28-17-5-8-19(9-6-17)33-13-1-2-21(27(33)36)26(35)31-18-7-10-23(22(29)14-18)37-20-11-12-30-24(15-20)32-25(34)16-3-4-16/h1-2,5-16H,3-4H2,(H,31,35)(H,30,32,34)
定義日:2021-05-03
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
J0C
J0C
表記:2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
組成式:C14 H17 N7 O
SMILES:NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]c2N1
InChi:InChI=1S/C14H17N7O/c1-2-3-4-14(20-21-14)5-6-16-7-9-8-17-11-10(9)12(22)19-13(15)18-11/h1,8,16H,3-7H2,(H4,15,17,18,19,22)
定義日:2021-03-09
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
0NI
0NI
表記:Aurachin D
組成式:C25 H33 N O
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)Nc2ccccc2C1=O
InChi:InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16-
別名:2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one
定義日:2021-06-09
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2-methyl-3-[(6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-1~{H}-quinolin-4-one
5QZ
5QZ
表記:5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
組成式:C22 H21 N3 O3
SMILES:CN(C)C(=O)c1cccc(c1)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4
InChi:InChI=1S/C22H21N3O3/c1-24(2)21(26)17-7-3-5-15(11-17)16-6-4-8-18(12-16)25-20(14-9-10-14)19(13-23-25)22(27)28/h3-8,11-14H,9-10H2,1-2H3,(H,27,28)
定義日:2021-07-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:5-cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
5RB
5RB
表記:5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
組成式:C31 H34 N6 O3
SMILES:CCC[CH]1CCCCN1C(=O)c2cccc(c2)c3cccc(c3)n4ncc(C(O)=O)c4[CH]5C[CH]5c6cn(C)nn6
InChi:InChI=1S/C31H34N6O3/c1-3-8-23-12-4-5-14-36(23)30(38)22-11-6-9-20(15-22)21-10-7-13-24(16-21)37-29(27(18-32-37)31(39)40)26-17-25(26)28-19-35(2)34-33-28/h6-7,9-11,13,15-16,18-19,23,25-26H,3-5,8,12,14,17H2,1-2H3,(H,39,40)/t23-,25-,26-/m1/s1
定義日:2021-07-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl)cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid
5RQ
5RQ
表記:1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
組成式:C28 H37 N3 O3
SMILES:CCCC[CH]1CCCN1C(=O)[CH]2CCC[CH](C2)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5
InChi:InChI=1S/C28H37N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h5,8,11,17-20,22-23H,2-4,6-7,9-10,12-16H2,1H3,(H,33,34)/t20-,22+,23-/m1/s1
定義日:2021-07-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
5UI
5UI
表記:1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
組成式:C19 H16 F3 N3 O3
SMILES:CC(C)Oc1cccc(c1)c2cccc(n2)n3ncc(C(O)=O)c3C(F)(F)F
InChi:InChI=1S/C19H16F3N3O3/c1-11(2)28-13-6-3-5-12(9-13)15-7-4-8-16(24-15)25-17(19(20,21)22)14(10-23-25)18(26)27/h3-11H,1-2H3,(H,26,27)
定義日:2021-07-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:1-[6-(3-propan-2-yloxyphenyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
5UZ
5UZ
表記:5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
組成式:C28 H30 F N3 O3
SMILES:CCC[CH]1CCCCN1C(=O)c2cccc(c2F)c3cccc(c3)n4ncc(C(O)=O)c4C5CC5
InChi:InChI=1S/C28H30FN3O3/c1-2-7-20-9-3-4-15-31(20)27(33)23-12-6-11-22(25(23)29)19-8-5-10-21(16-19)32-26(18-13-14-18)24(17-30-32)28(34)35/h5-6,8,10-12,16-18,20H,2-4,7,9,13-15H2,1H3,(H,34,35)/t20-/m1/s1
定義日:2021-07-14
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
H7C
H7C
表記:2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine
組成式:C20 H22 N2 O2 S
SMILES:COc1ccc2nc3ccc(OC)cc3c(SC4CCNCC4)c2c1
InChi:InChI=1S/C20H22N2O2S/c1-23-13-3-5-18-16(11-13)20(25-15-7-9-21-10-8-15)17-12-14(24-2)4-6-19(17)22-18/h3-6,11-12,15,21H,7-10H2,1-2H3
定義日:2020-11-24
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2,7-dimethoxy-9-piperidin-4-ylsulfanyl-acridine
H7F
H7F
表記:[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
組成式:C22 H26 N2 O3 S
SMILES:COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CCNCC4)c2c1
InChi:InChI=1S/C22H26N2O3S/c1-26-16-3-4-20-18(10-16)22(28-13-14-5-7-23-8-6-14)19-11-17(27-2)9-15(12-25)21(19)24-20/h3-4,9-11,14,23,25H,5-8,12-13H2,1-2H3
定義日:2020-11-24
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:[2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridin-4-yl]methanol
H7L
H7L
表記:[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
組成式:C20 H22 N2 O3 S
SMILES:COc1ccc2nc3c(CO)cc(OC)cc3c(SCC4CNC4)c2c1
InChi:InChI=1S/C20H22N2O3S/c1-24-14-3-4-18-16(6-14)20(26-11-12-8-21-9-12)17-7-15(25-2)5-13(10-23)19(17)22-18/h3-7,12,21,23H,8-11H2,1-2H3
定義日:2020-11-24
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:[9-(azetidin-3-ylmethylsulfanyl)-2,7-dimethoxy-acridin-4-yl]methanol
H7O
H7O
表記:2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
組成式:C27 H28 N2 O2 S
SMILES:COc1ccc2nc3ccc(OCc4ccccc4)cc3c(SCC5CCNCC5)c2c1
InChi:InChI=1S/C27H28N2O2S/c1-30-21-7-9-25-23(15-21)27(32-18-20-11-13-28-14-12-20)24-16-22(8-10-26(24)29-25)31-17-19-5-3-2-4-6-19/h2-10,15-16,20,28H,11-14,17-18H2,1H3
定義日:2020-11-24
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:2-methoxy-7-phenylmethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine
H7R
H7R
表記:7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline
組成式:C18 H21 N3 O S3
SMILES:COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1
InChi:InChI=1S/C18H21N3OS3/c1-22-12-3-4-14-13(9-12)16(24-10-11-5-7-19-8-6-11)15-17(20-14)25-18(21-15)23-2/h3-4,9,11,19H,5-8,10H2,1-2H3
定義日:2020-11-24
最終更新日:2021-11-12
公開日:2021-11-17
識別子（ID）:7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline

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