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GX5
GX5
表記:2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine
組成式:C15 H13 Cl N4 O
SMILES:COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23
InChi:InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3
定義日:2022-05-18
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-pyrido[3,2-d]pyrimidin-4-amine
GXI
GXI
表記:2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
組成式:C16 H13 Cl F N3 O
SMILES:COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23
InChi:InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3
定義日:2022-05-18
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine
GY2
GY2
表記:2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
組成式:C16 H13 Cl F N3 O
SMILES:COc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23
InChi:InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(18)3-8-14(13)19-16(17)20-15/h3-9H,1-2H3
定義日:2022-05-18
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:2-chloranyl-6-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine
8DI
8DI
表記:N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
組成式:C17 H16 F N3 O2 S
SMILES:Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4
InChi:InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20)
別名:N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide
定義日:2021-10-08
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide
6RA
6RA
表記:N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
組成式:C17 H17 N3
SMILES:c1cccc2[NH]c(nc12)NC1CCCc2ccccc21
InChi:InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
定義日:2016-05-31
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-benzimidazol-2-amine
E7K
E7K
表記:7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
組成式:C27 H26 N6 S
SMILES:Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1
InChi:InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3
定義日:2021-12-03
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
IUE
IUE
表記:3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
組成式:C13 H14 Cl N3 O2 S
SMILES:Cc1c(Cl)c(nc2sc(c(N)c12)C(=O)NC1CC1)OC
InChi:InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
定義日:2022-01-31
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
IUI
IUI
表記:5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide
組成式:C17 H15 F3 N4 O3 S2
SMILES:FC(F)(F)S(=O)(=O)c1ccc(cc1)CNC(=O)c1sc2nnc(C)c(C)c2c1N
InChi:InChI=1S/C17H15F3N4O3S2/c1-8-9(2)23-24-16-12(8)13(21)14(28-16)15(25)22-7-10-3-5-11(6-4-10)29(26,27)17(18,19)20/h3-6H,7,21H2,1-2H3,(H,22,25)
定義日:2022-01-31
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:5-amino-3,4-dimethyl-N-{[4-(trifluoromethanesulfonyl)phenyl]methyl}thieno[2,3-c]pyridazine-6-carboxamide
JKI
JKI
表記:4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide
組成式:C17 H13 Br N2 O2 S
SMILES:Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3
InChi:InChI=1S/C17H13BrN2O2S/c18-14-7-9-16(10-8-14)23(21,22)20-15-5-3-4-13(12-15)17-6-1-2-11-19-17/h1-12,20H
定義日:2022-05-04
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide
JSI
JSI
表記:[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
組成式:C14 H11 Br N3 O4 P S
SMILES:O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23
InChi:InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+
定義日:2022-05-09
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
JT3
JT3
表記:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
組成式:C20 H11 F5 N3 O5 P S
SMILES:O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+
定義日:2022-05-09
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
JTC
JTC
表記:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
組成式:C20 H11 F5 N3 O5 P S
SMILES:O[P](O)(=O)C=Cc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b4-3+
定義日:2022-05-09
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
JTO
JTO
表記:[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid
組成式:C13 H12 N3 O5 P S
SMILES:O[P](O)(=O)COc1ccccc1Sc2c[nH]c3C(=O)NC=Nc23
InChi:InChI=1S/C13H12N3O5PS/c17-13-12-11(15-6-16-13)10(5-14-12)23-9-4-2-1-3-8(9)21-7-22(18,19)20/h1-6,14H,7H2,(H,15,16,17)(H2,18,19,20)
定義日:2022-05-09
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid
WNU
WNU
表記:2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one
組成式:C16 H15 Cl N5 O7 P S
SMILES:Clc1ccc(cc1)Sc1nc2c(N=C(N)NC2=O)n1C1OC2COP(=O)(O)OC2C1O
InChi:InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1
定義日:2022-10-04
最終更新日:2023-05-11
公開日:2023-05-10
識別子（ID）:2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one
BD0
BD0
表記:[(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
組成式:C22 H23 Cl F2 N2 O3
SMILES:Oc1cc(O)c(cc1Cl)C(=O)N2CCC[CH]2c3ccc(CN4CCC(F)(F)C4)cc3
InChi:InChI=1S/C22H23ClF2N2O3/c23-17-10-16(19(28)11-20(17)29)21(30)27-8-1-2-18(27)15-5-3-14(4-6-15)12-26-9-7-22(24,25)13-26/h3-6,10-11,18,28-29H,1-2,7-9,12-13H2/t18-/m1/s1
別名:1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
定義日:2009-05-11
最終更新日:2023-05-11
識別子（ID）:[(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
K7O
K7O
表記:(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
組成式:C18 H17 Cl2 N5
SMILES:Cc1ccc2nc([NH]c2c1C)CCc1nc2c(Cl)cc(Cl)c(C)n2n1
InChi:InChI=1S/C18H17Cl2N5/c1-9-4-5-14-17(10(9)2)22-15(21-14)6-7-16-23-18-13(20)8-12(19)11(3)25(18)24-16/h4-5,8H,6-7H2,1-3H3,(H,21,22)
定義日:2022-02-03
最終更新日:2023-05-11
公開日:2022-10-12
識別子（ID）:(4R)-6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
DLC
DLC
表記:(3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one
組成式:C35 H49 N O4
SMILES:C[CH](C[CH]1C[C](C)(O)C(=O)N1CCc2ccccc2)[CH]3CC[CH]4C(CCC[C]34C)=CC=C5C[CH](O)C[CH](O)C5=C
InChi:InChI=1S/C35H49NO4/c1-23(19-28-22-35(4,40)33(39)36(28)18-16-25-9-6-5-7-10-25)30-14-15-31-26(11-8-17-34(30,31)3)12-13-27-20-29(37)21-32(38)24(27)2/h5-7,9-10,12-13,23,28-32,37-38,40H,2,8,11,14-22H2,1,3-4H3/b26-12-,27-13+/t23-,28+,29-,30-,31+,32+,34-,35-/m1/s1
定義日:2015-02-12
最終更新日:2023-05-10
公開日:2016-12-07
識別子（ID）:(3~{R},5~{S})-5-[(2~{R})-2-[(1~{R},3~{a}~{S},4~{Z},7~{a}~{R})-7~{a}-methyl-4-[(2~{E})-2-[(3~{S},5~{R})-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]propyl]-3-methyl-3-oxidanyl-1-(2-phenylethyl)pyrrolidin-2-one
XRR
XRR
表記:N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid
組成式:C19 H20 N4 O6 S2
SMILES:O=C(O)C(CCC(=O)O)NC(=O)c1cc(cs1)CCCc1cc2C(=O)NC(N)=Nc2s1
InChi:InChI=1S/C19H20N4O6S2/c20-19-22-15(26)11-7-10(31-17(11)23-19)3-1-2-9-6-13(30-8-9)16(27)21-12(18(28)29)4-5-14(24)25/h6-8,12H,1-5H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1
定義日:2022-12-06
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid
XSI
XSI
表記:N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid
組成式:C21 H23 N5 O6 S
SMILES:O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cn1)CCCCc1cc2C(=O)NC(N)=Nc2s1
InChi:InChI=1S/C21H23N5O6S/c22-21-25-17(29)13-9-12(33-19(13)26-21)4-2-1-3-11-5-6-14(23-10-11)18(30)24-15(20(31)32)7-8-16(27)28/h5-6,9-10,15H,1-4,7-8H2,(H,24,30)(H,27,28)(H,31,32)(H3,22,25,26,29)/t15-/m0/s1
定義日:2022-12-06
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid
XSO
XSO
表記:N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid
組成式:C21 H22 F N5 O6 S
SMILES:O=C(O)C(CCC(=O)O)NC(=O)c1ncc(cc1F)CCCCc1cc2C(=O)N=C(N)Nc2s1
InChi:InChI=1S/C21H22FN5O6S/c22-13-7-10(9-24-16(13)18(31)25-14(20(32)33)5-6-15(28)29)3-1-2-4-11-8-12-17(30)26-21(23)27-19(12)34-11/h7-9,14H,1-6H2,(H,25,31)(H,28,29)(H,32,33)(H3,23,26,27,30)/t14-/m0/s1
定義日:2022-12-06
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid
KFL
KFL
表記:6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide
組成式:C20 H36 N4 O3 S
SMILES:CC1(C)CC(CC(C)(C)N1O)NC(=O)CCCCC[CH]2SC[CH]3NC(=O)N[CH]23
InChi:InChI=1S/C20H36N4O3S/c1-19(2)10-13(11-20(3,4)24(19)27)21-16(25)9-7-5-6-8-15-17-14(12-28-15)22-18(26)23-17/h13-15,17,27H,5-12H2,1-4H3,(H,21,25)(H2,22,23,26)/t14-,15-,17-/m0/s1
定義日:2022-05-25
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide
OKR
OKR
表記:[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C20 H28 N10 O21 P4
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]4n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O
InChi:InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-53(39,40)49-12-10(32)6(2-46-54(41,42)51-55(43,44)50-52(36,37)38)48-18(12)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H,41,42)(H,43,44)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
定義日:2022-05-10
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
OKX
OKX
表記:[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
組成式:C21 H30 N10 O19 P4
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C21H30N10O19P4/c22-15-9-16(25-3-24-15)30(4-26-9)19-13(34)11(32)7(47-19)2-46-54(43,44)49-14-12(33)8(1-45-51(36,37)6-52(38,39)50-53(40,41)42)48-20(14)31-5-27-10-17(31)28-21(23)29-18(10)35/h3-5,7-8,11-14,19-20,32-34H,1-2,6H2,(H,36,37)(H,38,39)(H,43,44)(H2,22,24,25)(H2,40,41,42)(H3,23,28,29,35)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
定義日:2022-05-11
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
YB0
YB0
表記:5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine
組成式:C29 H42 N8 O3 S
SMILES:N=C(NCC1CCCCC1)NCCSCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O
InChi:InChI=1S/C29H42N8O3S/c30-29(33-16-21-10-5-2-6-11-21)32-14-15-41-17-22-24(38)25(39)28(40-22)37-19-36-23-26(34-18-35-27(23)37)31-13-7-12-20-8-3-1-4-9-20/h1,3-4,8-9,18-19,21-22,24-25,28,38-39H,2,5-7,10-17H2,(H3,30,32,33)(H,31,34,35)/t22-,24-,25-,28-/m1/s1
定義日:2023-01-20
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine
YB5
YB5
表記:5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine
組成式:C30 H44 N8 O3 S
SMILES:N=C(NCC1CCCCC1)NCCCSCC1OC(n2cnc3c(NCCCc4ccccc4)ncnc32)C(O)C1O
InChi:InChI=1S/C30H44N8O3S/c31-30(34-17-22-11-5-2-6-12-22)33-15-8-16-42-18-23-25(39)26(40)29(41-23)38-20-37-24-27(35-19-36-28(24)38)32-14-7-13-21-9-3-1-4-10-21/h1,3-4,9-10,19-20,22-23,25-26,29,39-40H,2,5-8,11-18H2,(H3,31,33,34)(H,32,35,36)/t23-,25-,26-,29-/m1/s1
定義日:2023-01-20
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine

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件を2025-10-22に公開中

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