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A1IMY
A1IMY
表記:(1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
組成式:C26 H36 F5 N5 O4
SMILES:CC1(C)C[CH](C[CH](NC(=O)[CH]2[CH]3CC[CH](CC3(F)F)N2C(=O)[CH](CC4CCC4)NC(=O)C(F)(F)F)C=N)C(=O)N1
InChi:InChI=1S/C26H36F5N5O4/c1-24(2)10-14(20(37)35-24)9-15(12-32)33-21(38)19-17-7-6-16(11-25(17,27)28)36(19)22(39)18(8-13-4-3-5-13)34-23(40)26(29,30)31/h12-19,32H,3-11H2,1-2H3,(H,33,38)(H,34,40)(H,35,37)/t14-,15-,16-,17-,18+,19-/m0/s1
定義日:2024-08-28
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(1~{S},3~{S},4~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2~{R})-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
A1ISA
A1ISA
表記:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
組成式:C22 H20 N4 O2
SMILES:CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4ccccc4OC)ncc13
InChi:InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
定義日:2024-10-23
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
YDW
YDW
表記:~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
組成式:C22 H17 F3 N4 O2
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1
InChi:InChI=1S/C22H17F3N4O2/c1-26-20(30)16-4-2-3-13(9-16)12-29-8-7-15-10-14(5-6-17(15)21(29)31)18-11-27-28-19(18)22(23,24)25/h2-11H,12H2,1H3,(H,26,30)(H,27,28)
別名:GNS-2591
定義日:2023-11-30
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
A1IU4
A1IU4
表記:8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid
組成式:C11 H8 N2 O5
SMILES:OC(=O)Nc1cccc2c(O)cc(nc12)C(O)=O
InChi:InChI=1S/C11H8N2O5/c14-8-4-7(10(15)16)12-9-5(8)2-1-3-6(9)13-11(17)18/h1-4,13H,(H,12,14)(H,15,16)(H,17,18)
定義日:2024-11-25
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid
YEA
YEA
表記:3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
組成式:C22 H16 F4 N4 O2
SMILES:CNC(=O)c1cc(F)cc(CN2C=Cc3cc(ccc3C2=O)c4cn[nH]c4C(F)(F)F)c1
InChi:InChI=1S/C22H16F4N4O2/c1-27-20(31)15-6-12(7-16(23)9-15)11-30-5-4-14-8-13(2-3-17(14)21(30)32)18-10-28-29-19(18)22(24,25)26/h2-10H,11H2,1H3,(H,27,31)(H,28,29)
定義日:2023-11-30
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
YEI
YEI
表記:~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
組成式:C22 H19 N3 O3
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4conc4C)c1
InChi:InChI=1S/C22H19N3O3/c1-14-20(13-28-24-14)16-6-7-19-17(11-16)8-9-25(22(19)27)12-15-4-3-5-18(10-15)21(26)23-2/h3-11,13H,12H2,1-2H3,(H,23,26)
定義日:2023-11-30
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
YEW
YEW
表記:~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
組成式:C22 H20 N4 O2
SMILES:CNC(=O)c1cccc(CN2C=Cc3cc(ccc3C2=O)c4ccnn4C)c1
InChi:InChI=1S/C22H20N4O2/c1-23-21(27)18-5-3-4-15(12-18)14-26-11-9-16-13-17(6-7-19(16)22(26)28)20-8-10-24-25(20)2/h3-13H,14H2,1-2H3,(H,23,27)
定義日:2023-11-30
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
A1AQR
A1AQR
表記:(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide
組成式:C19 H21 Br N4 O
SMILES:CC(C)=C/C1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C
InChi:InChI=1S/C19H21BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-10,13,15H,1-4H3,(H,23,24,25)/t13-,15+/m0/s1
定義日:2024-05-01
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxamide
A1H0A
A1H0A
表記:4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
組成式:C9 H20 B N2 O5
SMILES:N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O
InChi:InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1
定義日:2023-12-14
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
A1H0B
A1H0B
表記:(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid
組成式:C8 H16 B N O4
SMILES:OB(O)CCC[CH]1CCN[CH]1C(O)=O
InChi:InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1
定義日:2023-12-14
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid
A1H8P
A1H8P
表記:7-bromanyl-3~{H}-imidazo[4,5-b]pyridine
組成式:C6 H4 Br N3
SMILES:Brc1ccnc2[nH]cnc12
InChi:InChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
定義日:2024-04-18
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:7-bromanyl-3~{H}-imidazo[4,5-b]pyridine
A1IED
A1IED
表記:6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide
組成式:C22 H21 N5 O4
SMILES:NC(=O)c1cccc(n1)c2cc(on2)c3cc4cc[nH]c4nc3O[CH]5CC[CH](O)CC5
InChi:InChI=1S/C22H21N5O4/c23-20(29)17-3-1-2-16(25-17)18-11-19(31-27-18)15-10-12-8-9-24-21(12)26-22(15)30-14-6-4-13(28)5-7-14/h1-3,8-11,13-14,28H,4-7H2,(H2,23,29)(H,24,26)
定義日:2024-06-13
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide
A1BHX
A1BHX
表記:N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
組成式:C17 H21 N3 O4 S
SMILES:ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(=O)(=O)C(C)C
InChi:InChI=1S/C17H21N3O4S/c1-13(2)25(23,24)20(12-15-4-3-9-18-10-15)11-14-5-7-16(8-6-14)17(21)19-22/h3-10,13,22H,11-12H2,1-2H3,(H,19,21)
定義日:2024-11-21
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:N-hydroxy-4-({(propane-2-sulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
A1BHY
A1BHY
表記:N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
組成式:C15 H17 N3 O4 S
SMILES:ONC(=O)c1ccc(cc1)CN(Cc1cccnc1)S(C)(=O)=O
InChi:InChI=1S/C15H17N3O4S/c1-23(21,22)18(11-13-3-2-8-16-9-13)10-12-4-6-14(7-5-12)15(19)17-20/h2-9,20H,10-11H2,1H3,(H,17,19)
定義日:2024-11-21
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:N-hydroxy-4-({(methanesulfonyl)[(pyridin-3-yl)methyl]amino}methyl)benzamide
A1LU9
A1LU9
表記:N-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
組成式:C15 H14 N2 O4
SMILES:CC(=O)Nc1ccc(NC(=O)c2oc(cc2)C(C)=O)cc1
InChi:InChI=1S/C15H14N2O4/c1-9(18)13-7-8-14(21-13)15(20)17-12-5-3-11(4-6-12)16-10(2)19/h3-8H,1-2H3,(H,16,19)(H,17,20)
定義日:2023-12-17
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-(4-acetamidophenyl)-5-ethanoyl-furan-2-carboxamide
A1LVA
A1LVA
表記:N-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
組成式:C17 H19 Cl N2 O5 S2
SMILES:COc1ccc(C)cc1[S](=O)(=O)Nc2ccc(Cl)c(c2)N3CCC[S]3(=O)=O
InChi:InChI=1S/C17H19ClN2O5S2/c1-12-4-7-16(25-2)17(10-12)27(23,24)19-13-5-6-14(18)15(11-13)20-8-3-9-26(20,21)22/h4-7,10-11,19H,3,8-9H2,1-2H3
定義日:2023-12-17
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-chloranyl-phenyl]-2-methoxy-5-methyl-benzenesulfonamide
A1LVV
A1LVV
表記:LL-D49194alpha1
組成式:C48 H66 O22
SMILES:CO[CH](O[CH]1C[C](C)(O)[CH](O[CH]2C[C](C)(O)[CH](O)[CH](C)O2)[CH](C)O1)[C]34O[CH]5[CH](O3)[C](OC)(Oc6c5c(C)cc7c(OC)c8[CH](C[CH](O)C(=O)c8c(O)c67)O[CH]9C[C](C)(O)[CH](OC(C)=O)[CH](C)O9)[C]4(C)O
InChi:InChI=1S/C48H66O22/c1-18-13-23-30(34(52)32-31(35(23)58-10)25(14-24(50)33(32)51)65-26-16-44(7,55)39(20(3)62-26)64-22(5)49)36-29(18)37-41-47(60-12,68-36)46(9,57)48(69-37,70-41)42(59-11)67-28-17-45(8,56)40(21(4)63-28)66-27-15-43(6,54)38(53)19(2)61-27/h13,19-21,24-28,37-42,50,52-57H,14-17H2,1-12H3/t19-,20-,21-,24-,25-,26-,27-,28-,37-,38+,39+,40+,41-,42+,43+,44+,45+,46-,47+,48-/m0/s1
定義日:2024-01-09
最終更新日:2024-11-29
公開日:2024-12-04
A1LYJ
A1LYJ
表記:(5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
組成式:C12 H12 N2 O3 S
SMILES:COc1cccc(C=C2SC(=N)NC2=O)c1OC
InChi:InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+
定義日:2024-02-20
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(5~{E})-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
H2I
H2I
表記:~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
組成式:C19 H15 N O6
SMILES:Oc1ccc(CNC(=O)C2=Cc3ccc(O)c(O)c3C(=O)C(=C2)O)cc1
InChi:InChI=1S/C19H15NO6/c21-13-4-1-10(2-5-13)9-20-19(26)12-7-11-3-6-14(22)17(24)16(11)18(25)15(23)8-12/h1-8,21-22,24H,9H2,(H,20,26)(H,23,25)
定義日:2023-07-21
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:~{N}-[(4-hydroxyphenyl)methyl]-3,4,6-tris(oxidanyl)-5-oxidanylidene-benzo[7]annulene-8-carboxamide
A1ACA
A1ACA
表記:5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one
組成式:C12 H8 Br Cl N4 O
SMILES:Brc1cnc(Cl)nc1Nc1cc2CC(=O)Nc2cc1
InChi:InChI=1S/C12H8BrClN4O/c13-8-5-15-12(14)18-11(8)16-7-1-2-9-6(3-7)4-10(19)17-9/h1-3,5H,4H2,(H,17,19)(H,15,16,18)
定義日:2024-01-09
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one
A1ACV
A1ACV
表記:(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
組成式:C25 H27 N9
SMILES:Cn1nc(nn1)c1cc2[NH]c3nc(Cc4ccccc4)nc(NC4CCC(N)CC4)c3c2cc1
InChi:InChI=1S/C25H27N9/c1-34-32-23(31-33-34)16-7-12-19-20(14-16)28-25-22(19)24(27-18-10-8-17(26)9-11-18)29-21(30-25)13-15-5-3-2-4-6-15/h2-7,12,14,17-18H,8-11,13,26H2,1H3,(H2,27,28,29,30)/t17-,18-
定義日:2024-01-16
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
IB0
IB0
表記:(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone
組成式:C12 H12 N4 O
SMILES:Cc1cccc2CCN(C(=O)n3ccnn3)c12
InChi:InChI=1S/C12H12N4O/c1-9-3-2-4-10-5-7-15(11(9)10)12(17)16-8-6-13-14-16/h2-4,6,8H,5,7H2,1H3
定義日:2022-06-24
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(7-methyl-2,3-dihydroindol-1-yl)-(1,2,3-triazol-1-yl)methanone
K0O
K0O
表記:Aspterric Acid
組成式:C15 H22 O4
SMILES:CC(C)=C1CC[C]23CO[CH](C2)[C](O)(CC[CH]13)C(O)=O
InChi:InChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1
別名:(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid
定義日:2022-09-02
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid
X7T
X7T
表記:1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one
組成式:C24 H29 F2 N5 O3
SMILES:Fc1ccc(OC2CCN(CC2)c2nc3CCN(Cc3nc2NC2CCOC2)C(C)=O)c(F)c1
InChi:InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1
定義日:2023-06-05
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one
XY8
XY8
表記:3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
組成式:C22 H26 F2 N6
SMILES:CC(C)Nc1nc2cc(C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChi:InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
定義日:2023-06-05
最終更新日:2024-11-29
公開日:2024-12-04
識別子（ID）:3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine

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件を2025-07-09に公開中

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