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N3Z
N3Z
表記:~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
組成式:C23 H25 N O5
SMILES:COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC
InChi:InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1
定義日:2019-11-11
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide
2SL
2SL
表記:(2S)-pentan-2-ol
組成式:C5 H12 O
SMILES:OC(C)CCC
InChi:InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
別名:(S)-2-pentanol
定義日:2008-04-13
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:(2S)-pentan-2-ol
U3J
U3J
表記:xanthosine diphosphate
組成式:C10 H14 N4 O12 P2
SMILES:N1C(=O)c2ncn(c2NC1=O)C3C(O)C(C(COP(O)(=O)OP(=O)(O)O)O3)O
InChi:InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6+,9-/m1/s1
定義日:2020-04-13
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-D-lyxofuranosyl}-3,9-dihydro-1H-purine-2,6-dione
9O8
9O8
表記:[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate
組成式:C12 H14 N4 O4 S
SMILES:CC(=O)OCc1n[nH]nc1CN[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C12H14N4O4S/c1-9(17)20-8-12-11(14-16-15-12)7-13-21(18,19)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15,16)
定義日:2017-06-15
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate
9OB
9OB
表記:~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
組成式:C17 H19 N5 O2 S
SMILES:O=[S](=O)(NCc1nn[nH]c1CNCc2ccccc2)c3ccccc3
InChi:InChI=1S/C17H19N5O2S/c23-25(24,15-9-5-2-6-10-15)19-13-17-16(20-22-21-17)12-18-11-14-7-3-1-4-8-14/h1-10,18-19H,11-13H2,(H,20,21,22)
定義日:2017-06-15
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
UFJ
UFJ
表記:N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
組成式:C14 H19 I N2 O3
SMILES:c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I
InChi:InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
定義日:2020-05-14
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
UFS
UFS
表記:N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
組成式:C27 H31 N3 O5
SMILES:c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O
InChi:InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33)
定義日:2020-05-14
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
UXP
UXP
表記:[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
組成式:C17 H22 N8 O
SMILES:C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO)CCCC5
InChi:InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)/t11-/m1/s1
定義日:2020-06-03
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
UYD
UYD
表記:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
組成式:C21 H26 N8 O
SMILES:C(Nc3nc(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO)c4ccccc4
InChi:InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1
定義日:2020-06-04
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
UYS
UYS
表記:3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
組成式:C16 H17 N7 O
SMILES:c1(c(N(C)C)nc(N)c(n1)C(N=C(/N)N)=O)C#Cc2ccccc2
InChi:InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24)
定義日:2020-06-08
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
V8Y
V8Y
表記:7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
組成式:C17 H20 Cl N O4 S
SMILES:Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1
InChi:InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21)
定義日:2020-07-20
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
VF4
VF4
表記:(1R,3S)-3-methylcyclohexan-1-ol
組成式:C7 H14 O
SMILES:C1(CCCC(C1)C)O
InChi:InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
定義日:2020-08-06
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:(1R,3S)-3-methylcyclohexan-1-ol
VFA
VFA
表記:N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
組成式:C21 H18 N2 O3
SMILES:c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O
InChi:InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)
定義日:2020-08-06
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
VFS
VFS
表記:N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
組成式:C19 H19 N3 O3
SMILES:c2(c(ccc(C(=O)NC(CO)c1ccccc1)c2)c3cnnc3)OC
InChi:InChI=1S/C19H19N3O3/c1-25-18-9-14(7-8-16(18)15-10-20-21-11-15)19(24)22-17(12-23)13-5-3-2-4-6-13/h2-11,17,23H,12H2,1H3,(H,20,21)(H,22,24)/t17-/m1/s1
定義日:2020-08-10
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
K6G
K6G
表記:[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
組成式:C24 H51 N O7 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
InChi:InChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)
定義日:2018-11-01
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
BWC
BWC
表記:5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
組成式:C22 H25 F N4 O2
SMILES:Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4
InChi:InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12-
定義日:2019-03-20
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:5-[(~{Z})-(5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]-2,4-dimethyl-~{N}-(2-pyrrolidin-1-ylethyl)-1~{H}-pyrrole-3-carboxamide
PK5
PK5
表記:2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
組成式:C27 H37 Cl N6 O3
SMILES:CCC1NC2CCC(Cl)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C)C(=O)NC5=O
InChi:InChI=1S/C27H37ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-5,7-8,15,19,21-24,30H,3,6,9-14,16H2,1-2H3,(H,29,36)(H,31,35,37)
定義日:2020-04-23
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:6-chloranyl-2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
SZS
SZS
表記:methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
組成式:C17 H22 O9
SMILES:C1(C(O)C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)OC
InChi:InChI=1S/C17H22O9/c1-23-17-15(22)16(14(21)11(8-18)25-17)26-13(20)7-12(19)24-9-10-5-3-2-4-6-10/h2-6,11,14-18,21-22H,7-9H2,1H3/t11-,14+,15-,16+,17-/m1/s1
定義日:2020-03-13
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
DW9
DW9
表記:2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
組成式:C14 H10 N4 O2 S4
SMILES:Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1
InChi:InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18)
定義日:2019-09-13
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
E2X
E2X
表記:7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine
組成式:C19 H23 Cl N4 O
SMILES:Nc1cc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2cc1Cl
InChi:InChI=1S/C19H23ClN4O/c20-14-9-17-18(10-15(14)21)25-19-12-23-7-5-16(19)24(17)8-2-4-13-3-1-6-22-11-13/h5,7,9-10,12-13,22H,1-4,6,8,11,21H2/t13-/m0/s1
定義日:2019-10-02
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine
E6L
E6L
表記:4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide
組成式:C23 H26 Cl N7 O3
SMILES:COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[CH]4CO)cc1Cl
InChi:InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1
別名:Avanafil
定義日:2019-10-31
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2~{S})-2-(hydroxymethyl)pyrrolidin-1-yl]-~{N}-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
EBX
EBX
表記:4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
組成式:C22 H26 N4 O5
SMILES:CC[CH](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C
InChi:InChI=1S/C22H26N4O5/c1-6-13(15-9-12(10-31-15)11(2)3)24-16-17(21(29)20(16)28)25-14-7-8-23-18(19(14)27)22(30)26(4)5/h7-11,13,24,27H,6H2,1-5H3,(H,23,25)/t13-/m1/s1
定義日:2019-12-10
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
EZ6
EZ6
表記:1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
組成式:C24 H17 F4 N7 O2
SMILES:CNc1cc(F)cc2c1[nH]c3ncc(c4cnc(nc4)C5(CC5)C(O)=O)c(n6ccc(n6)C(F)(F)F)c23
InChi:InChI=1S/C24H17F4N7O2/c1-29-15-7-12(25)6-13-17-19(35-5-2-16(34-35)24(26,27)28)14(10-30-20(17)33-18(13)15)11-8-31-21(32-9-11)23(3-4-23)22(36)37/h2,5-10,29H,3-4H2,1H3,(H,30,33)(H,36,37)
定義日:2020-02-27
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
EZ9
EZ9
表記:3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
組成式:C26 H23 F4 N7 O3
SMILES:CCNc1cc(F)cc2c1[nH]c3ncc(c4cnc(OCC(C)(C)C(O)=O)nc4)c(n5ccc(n5)C(F)(F)F)c23
InChi:InChI=1S/C26H23F4N7O3/c1-4-31-17-8-14(27)7-15-19-21(37-6-5-18(36-37)26(28,29)30)16(11-32-22(19)35-20(15)17)13-9-33-24(34-10-13)40-12-25(2,3)23(38)39/h5-11,31H,4,12H2,1-3H3,(H,32,35)(H,38,39)
定義日:2020-02-27
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
F0U
F0U
表記:5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
組成式:C18 H14 Br Cl2 N5 O2
SMILES:CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl
InChi:InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
定義日:2020-03-10
最終更新日:2020-08-28
公開日:2020-09-02
識別子（ID）:5-bromanyl-~{N}-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide

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件を2025-07-09に公開中

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