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A1EC8
A1EC8
表記:~{N}-[(~{E},2~{S},3~{R})-18-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1,3-bis(oxidanyl)octadec-4-en-2-yl]octadecanamide
組成式:C42 H73 N5 O6
SMILES:CCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCCNc1ccc(c2nonc12)[N+]([O-])=O
InChi:InChI=1S/C42H73N5O6/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-40(50)44-37(35-48)39(49)30-27-24-21-18-15-12-11-14-17-20-23-26-29-34-43-36-32-33-38(47(51)52)42-41(36)45-53-46-42/h27,30,32-33,37,39,43,48-49H,2-26,28-29,31,34-35H2,1H3,(H,44,50)/b30-27+/t37-,39+/m0/s1
別名:1246303-04-7
定義日:2024-10-11
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:~{N}-[(~{E},2~{S},3~{R})-18-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-1,3-bis(oxidanyl)octadec-4-en-2-yl]octadecanamide
A1ECR
A1ECR
表記:1-[2-[4-(2-ethyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea
組成式:C26 H29 N5 O3 S
SMILES:CCc1nc2c(C)nc(C)cc2n1c3ccc(CCNC(=O)N[S](=O)(=O)c4ccc(C)cc4)cc3
InChi:InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
別名:Grapiprant
定義日:2024-10-01
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:1-[2-[4-(2-ethyl-4,6-dimethyl-imidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonyl-urea
A1EKZ
A1EKZ
表記:(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate
組成式:C22 H20 O3
SMILES:C=CCCOc1c(ccc2ccccc12)C(=O)OCc3ccccc3
InChi:InChI=1S/C22H20O3/c1-2-3-15-24-21-19-12-8-7-11-18(19)13-14-20(21)22(23)25-16-17-9-5-4-6-10-17/h2,4-14H,1,3,15-16H2
別名:benzyl 1-(but-3-en-1-yloxy)-2-naphthoate
定義日:2025-01-29
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate
A1I4V
A1I4V
表記:~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide
組成式:C9 H10 Cl N O
SMILES:CC(=O)Nc1ccc(C)c(Cl)c1
InChi:InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)
定義日:2025-02-26
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide
A1INA
A1INA
表記:~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide
組成式:C6 H13 N O2
SMILES:C[CH](O)[CH](C)NC(C)=O
InChi:InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1
定義日:2024-09-03
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide
A1IXQ
A1IXQ
表記:2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
組成式:C16 H14 Cl N3 O S
SMILES:Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)cc3
InChi:InChI=1S/C16H14ClN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)
定義日:2024-12-27
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
A1IXR
A1IXR
表記:2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
組成式:C16 H14 Br N3 O S
SMILES:Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Br)c3
InChi:InChI=1S/C16H14BrN3OS/c17-12-3-1-2-10(8-12)6-7-19-15(21)11-4-5-13-14(9-11)22-16(18)20-13/h1-5,8-9H,6-7H2,(H2,18,20)(H,19,21)
定義日:2024-12-27
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
A1IXS
A1IXS
表記:2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
組成式:C16 H14 Br N3 O S
SMILES:Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3
InChi:InChI=1S/C16H14BrN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)
定義日:2024-12-27
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
A1IYF
A1IYF
表記:3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione
組成式:C28 H25 F N6 O3
SMILES:Fc1cc2CN(CCn3cc(c(c1)c23)C4=C(C(=O)NC4=O)c5cnc6ccccn56)C(=O)N7CCCCC7
InChi:InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)
定義日:2025-01-10
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:3-(6-fluoranyl-10-piperidin-1-ylcarbonyl-1,10-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4,6,8(13)-tetraen-3-yl)-4-imidazo[1,2-a]pyridin-3-yl-pyrrole-2,5-dione
A1L7B
A1L7B
表記:Azumolene
組成式:C13 H9 Br N4 O3
SMILES:Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2
InChi:InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+
定義日:2025-01-08
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:1-[(~{E})-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione
A1L9B
A1L9B
表記:methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
組成式:C32 H43 N O4
SMILES:COC(=O)[C]12CCC(C)(C)C[CH]1[CH]3C(=O)C=C4[C](C)(CC[CH]5C(C)(C)C(=O)C(=C[C]45C)C#N)[C]3(C)CC2
InChi:InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20?,22?,24?,29-,30+,31+,32-/m0/s1
別名:CDDO-Me
定義日:2025-04-28
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:methyl (4~{a}~{S},6~{a}~{R},6~{b}~{S},8~{a}~{R},12~{a}~{S},14~{a}~{R},14~{b}~{S})-11-cyano-2,2,6~{a},6~{b},9,9,12~{a}-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8~{a},14~{a},14~{b}-decahydropicene-4~{a}-carboxylate
5YK
5YK
表記:6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
組成式:C20 H18 F N3 O2
SMILES:COc1cccc(c1)[CH](C)NC(=O)c2ccc(nc2)c3ccnc(F)c3
InChi:InChI=1S/C20H18FN3O2/c1-13(14-4-3-5-17(10-14)26-2)24-20(25)16-6-7-18(23-12-16)15-8-9-22-19(21)11-15/h3-13H,1-2H3,(H,24,25)/t13-/m1/s1
定義日:2021-07-19
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
5YO
5YO
表記:4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
組成式:C19 H23 F N4 O2
SMILES:COc1cccc(c1)[CH](C)NC(=O)N2CCN(CC2)c3ccncc3F
InChi:InChI=1S/C19H23FN4O2/c1-14(15-4-3-5-16(12-15)26-2)22-19(25)24-10-8-23(9-11-24)18-6-7-21-13-17(18)20/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)/t14-/m1/s1
定義日:2021-07-19
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
5YV
5YV
表記:~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide
組成式:C21 H26 N2 O2
SMILES:COc1cccc(c1)[CH](C)NC(=O)[CH]2CC[CH](CC2)c3ccncc3
InChi:InChI=1S/C21H26N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-5,10-16,18H,6-9H2,1-2H3,(H,23,24)/t15-,16-,18-/m1/s1
定義日:2021-07-19
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide
A1CGJ
A1CGJ
表記:2-amino-1-[(R)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name)
組成式:C23 H30 N13 O12 P2
SMILES:NC1=Nc2c(ncn2C2CC(O)C(O2)COP(=O)(O)[n+]2ccn(c2N)P(=O)(O)OCC2OC(CC2O)n2cnc3c2N=C(N)NC3=O)C(=O)N1
InChi:InChI=1S/C23H29N13O12P2/c24-21-29-17-15(19(39)31-21)27-7-33(17)13-3-9(37)11(47-13)5-45-49(41,42)35-1-2-36(23(35)26)50(43,44)46-6-12-10(38)4-14(48-12)34-8-28-16-18(34)30-22(25)32-20(16)40/h1-2,7-14,26,37-38H,3-6H2,(H8,24,25,29,30,31,32,39,40,41,42,43,44)/p+1/t9-,10-,11+,12+,13+,14+/m0/s1
定義日:2025-06-12
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2-amino-1-[(R)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name)
A1CRA
A1CRA
表記:4-(2-aminoethyl)-2-iodophenol
組成式:C8 H10 I N O
SMILES:Ic1cc(CCN)ccc1O
InChi:InChI=1S/C8H10INO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
定義日:2025-08-26
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:4-(2-aminoethyl)-2-iodophenol
A1CRB
A1CRB
表記:2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
組成式:C6 H5 F3 N2 O
SMILES:O=C(c1nccn1C)C(F)(F)F
InChi:InChI=1S/C6H5F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3
定義日:2025-08-26
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
A1CS2
A1CS2
表記:2-[(1-methylcyclobutyl)sulfanyl]benzoic acid
組成式:C12 H14 O2 S
SMILES:O=C(O)c1ccccc1SC1(C)CCC1
InChi:InChI=1S/C12H14O2S/c1-12(7-4-8-12)15-10-6-3-2-5-9(10)11(13)14/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
定義日:2025-09-10
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:2-[(1-methylcyclobutyl)sulfanyl]benzoic acid
A1CS3
A1CS3
表記:methyl (1S)-2-oxocyclopentane-1-carboxylate
組成式:C7 H10 O3
SMILES:O=C1CCCC1C(=O)OC
InChi:InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1
定義日:2025-09-10
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:methyl (1S)-2-oxocyclopentane-1-carboxylate
A1CS4
A1CS4
表記:(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron
組成式:C5 H5 B Br O2 S
SMILES:Cc1sc(cc1Br)[B](O)=O
InChi:InChI=1S/C5H5BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8H,1H3
定義日:2025-09-10
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron
A1CS5
A1CS5
表記:N,N'-(pyridine-2,6-diyl)diacetamide
組成式:C9 H11 N3 O2
SMILES:O=C(C)Nc1cccc(NC(C)=O)n1
InChi:InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)
定義日:2025-09-10
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:N,N'-(pyridine-2,6-diyl)diacetamide
A1CWA
A1CWA
表記:(2-azanylimidazol-1-yl)-[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]phosphinic acid
組成式:C13 H17 N8 O6 P
SMILES:Nc1nccn1P(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C13H17N8O6P/c14-12-18-10-9(11(23)19-12)17-5-20(10)8-3-6(22)7(27-8)4-26-28(24,25)21-2-1-16-13(21)15/h1-2,5-8,22H,3-4H2,(H2,15,16)(H,24,25)(H3,14,18,19,23)/t6-,7+,8+/m0/s1
別名:5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine
定義日:2025-09-29
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine
A1CYM
A1CYM
表記:N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide
組成式:C17 H17 N5 O3 S2
SMILES:O=C(NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1)C1CCCN1
InChi:InChI=1S/C17H17N5O3S2/c18-16-15-13(20-9-21-16)8-14(26-15)10-3-1-4-11(7-10)27(24,25)22-17(23)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2,(H,22,23)(H2,18,20,21)/t12-/m0/s1
定義日:2025-10-14
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide
A1JB4
A1JB4
表記:5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
組成式:C27 H27 Cl F3 N5 O3
SMILES:NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(OC(F)(F)F)c(Cl)c3)c4ccncc24
InChi:InChI=1S/C27H27ClF3N5O3/c28-22-13-17(3-6-24(22)39-27(29,30)31)15-33-8-1-2-11-38-12-10-35-26-20-7-9-34-16-21(20)19-5-4-18(25(32)37)14-23(19)36-26/h3-7,9,13-14,16,33H,1-2,8,10-12,15H2,(H2,32,37)(H,35,36)
定義日:2025-05-07
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
A1JJ8
A1JJ8
表記:~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide
組成式:C18 H18 F N3 O
SMILES:CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13
InChi:InChI=1S/C18H18FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h4-10H,3,11H2,1-2H3,(H,20,21,23)
定義日:2025-07-16
最終更新日:2025-10-17
公開日:2025-10-22
識別子（ID）:~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide

243531

件を2025-10-22に公開中

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