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WW4
WW4
表記:4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
組成式:C14 H15 N5 S
SMILES:n1ccc2c1ncnc2N4CCC(Cc3nccs3)C4
InChi:InChI=1S/C14H15N5S/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(8-19)7-12-15-4-6-20-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
WWJ
WWJ
表記:5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
組成式:C17 H22 N6 O
SMILES:c1(ncnc2c1c(CC)cn2)N3CCCC(C3)Cc4nc(C)no4
InChi:InChI=1S/C17H22N6O/c1-3-13-8-18-16-15(13)17(20-10-19-16)23-6-4-5-12(9-23)7-14-21-11(2)22-24-14/h8,10,12H,3-7,9H2,1-2H3,(H,18,19,20)/t12-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine
WWP
WWP
表記:3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
組成式:C13 H10 F3 N5
SMILES:c1(cc(C(F)(F)F)ccc1)CN3C=NC(=C2N=CN=C23)N
InChi:InChI=1S/C13H10F3N5/c14-13(15,16)9-3-1-2-8(4-9)5-21-7-20-11(17)10-12(21)19-6-18-10/h1-4,6-7H,5,17H2
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine
WWS
WWS
表記:3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine
組成式:C11 H9 Cl N6
SMILES:c1(ncc(cc1)Cl)CN3C=NC(=C2N=CN=C23)N
InChi:InChI=1S/C11H9ClN6/c12-7-1-2-8(14-3-7)4-18-6-17-10(13)9-11(18)16-5-15-9/h1-3,5-6H,4,13H2
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine
WX4
WX4
表記:{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
組成式:C14 H17 N7 O
SMILES:C3CN(c2c1ccnc1ncn2)CC(C3)n4cc(CO)nn4
InChi:InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
WX7
WX7
表記:5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
組成式:C13 H14 N6 O2
SMILES:C4N(c2c1c(ncc1)ncn2)CC(C3=NNC(O3)=O)CC4
InChi:InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
WXA
WXA
表記:5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
組成式:C14 H20 N4 O2 S
SMILES:C1CCC(CN1c3c2c(CC)cnc2ncn3)S(C)(=O)=O
InChi:InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
WXD
WXD
表記:5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
組成式:C14 H20 N4 O2 S
SMILES:c3(N1CCCC(C1)S(C)(=O)=O)c2c(CC)cnc2ncn3
InChi:InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m0/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
WXG
WXG
表記:1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one
組成式:C11 H13 N5 O S
SMILES:c1(ncnc2ncnc12)SCCN3C(=O)CCC3
InChi:InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one
WXJ
WXJ
表記:4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile
組成式:C14 H12 N6 O
SMILES:c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N
InChi:InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile
WXS
WXS
表記:4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
組成式:C10 H8 N4 O3 S
SMILES:c2(c1c(ncn1)ncn2)SCC3=C(C)OC(=O)O3
InChi:InChI=1S/C10H8N4O3S/c1-5-6(17-10(15)16-5)2-18-9-7-8(12-3-11-7)13-4-14-9/h3-4H,2H2,1H3,(H,11,12,13,14)
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
WXY
WXY
表記:(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
組成式:C16 H20 N4 O
SMILES:C4CCC3(CCCN3C(c2c1c(ncc1)ncn2)=O)CC4
InChi:InChI=1S/C16H20N4O/c21-15(13-12-5-9-17-14(12)19-11-18-13)20-10-4-8-16(20)6-2-1-3-7-16/h5,9,11H,1-4,6-8,10H2,(H,17,18,19)
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
WY7
WY7
表記:3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine
組成式:C13 H10 N6 O2
SMILES:c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4
InChi:InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine
WYA
WYA
表記:3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
組成式:C14 H12 N8 O
SMILES:c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4
InChi:InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23)
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
WYG
WYG
表記:[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
組成式:C12 H14 N4 O3
SMILES:c3cc2c(N1CC(CC(=O)O)OCC1)ncnc2n3
InChi:InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
WYJ
WYJ
表記:[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
組成式:C16 H18 N4 O2
SMILES:c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4
InChi:InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1
定義日:2020-11-17
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
WYY
WYY
表記:3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
組成式:C14 H18 N4 O2
SMILES:c13c(ncnc1N2CCCC(CCC(O)=O)C2)ncc3
InChi:InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m0/s1
定義日:2020-11-18
最終更新日:2022-07-08
公開日:2022-07-13
識別子（ID）:3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
XZG
XZG
表記:(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
組成式:C31 H34 N6 O5
SMILES:C1CN(CCC1CN5CC4=C(C(c2ccc(cc2)C)C3=C(N(CC)C(NC3=O)=O)N4)C5=O)Cc6ccc([N+](=O)[O-])cc6
InChi:InChI=1S/C31H34N6O5/c1-3-36-28-27(29(38)33-31(36)40)25(22-8-4-19(2)5-9-22)26-24(32-28)18-35(30(26)39)17-21-12-14-34(15-13-21)16-20-6-10-23(11-7-20)37(41)42/h4-11,21,25,32H,3,12-18H2,1-2H3,(H,33,38,40)/t25-/m1/s1
定義日:2021-01-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
G4R
G4R
表記:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
組成式:C27 H40 N6 O3
SMILES:CC(C)N1CCC(Nc2nc(NC(=O)C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:InChI=1S/C27H40N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h5,17-20H,1,6-16H2,2-4H3,(H2,28,29,30,31,34)
定義日:2021-12-16
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
G5U
G5U
表記:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide
組成式:C27 H42 N6 O3
SMILES:CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34)
定義日:2021-12-16
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide
YQS
YQS
表記:[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
組成式:C10 H17 N2 O13 P3 S
SMILES:CC1=CN([CH]2C[CH](O)[CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28-/m0/s1
定義日:2021-03-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
GCI
GCI
表記:N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
組成式:C34 H38 N6 O9 S2
SMILES:COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOCC4)cc3)c5ccccc25
InChi:InChI=1S/C34H38N6O9S2/c1-48-25-8-12-27(13-9-25)51(46,47)40(23-33(36)42)31-15-14-30(28-4-2-3-5-29(28)31)39(22-32(35)41)50(44,45)26-10-6-24(7-11-26)37-34(43)16-17-38-18-20-49-21-19-38/h2-15H,16-23H2,1H3,(H2,35,41)(H2,36,42)(H,37,43)
定義日:2022-05-06
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
GDJ
GDJ
表記:N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
組成式:C35 H41 N7 O8 S2
SMILES:CCN1CCN(CC1)CC(=O)Nc2ccc(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35
InChi:InChI=1S/C35H41N7O8S2/c1-3-39-18-20-40(21-19-39)24-35(45)38-25-8-12-27(13-9-25)51(46,47)41(22-33(36)43)31-16-17-32(30-7-5-4-6-29(30)31)42(23-34(37)44)52(48,49)28-14-10-26(50-2)11-15-28/h4-17H,3,18-24H2,1-2H3,(H2,36,43)(H2,37,44)(H,38,45)
定義日:2022-05-06
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
4IL
4IL
表記:13-Oxofumitremorgin B
組成式:C27 H31 N3 O5
SMILES:COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23
InChi:InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1
別名:(1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione
定義日:2022-02-02
最終更新日:2022-07-01
公開日:2022-07-06
5M5
5M5
表記:(4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile
組成式:C24 H24 N4 O2
SMILES:CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N
InChi:InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1
定義日:2021-08-19
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

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件を2024-07-24に公開中

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