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QTF
QTF
表記:(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H16 F2 N4 O2
SMILES:O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C18H16F2N4O2/c19-10-2-3-11-12(6-10)23-14-13(11)15(22-9-21-14)24-7-17(4-1-5-17)18(20,8-24)16(25)26/h2-3,6,9H,1,4-5,7-8H2,(H,25,26)(H,21,22,23)/t18-/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
RM6
RM6
表記:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
組成式:C15 H16 N2 O3 S
SMILES:O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1
InChi:InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
QTO
QTO
表記:(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H19 F N4 O2
SMILES:O=C(O)C1(F)CN(CC21CCC2)c1cc(Nc2ccccc2)ncn1
InChi:InChI=1S/C18H19FN4O2/c19-18(16(24)25)11-23(10-17(18)7-4-8-17)15-9-14(20-12-21-15)22-13-5-2-1-3-6-13/h1-3,5-6,9,12H,4,7-8,10-11H2,(H,24,25)(H,20,21,22)/t18-/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
QU3
QU3
表記:4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide
組成式:C13 H15 N5 O4 S
SMILES:O=C(c1coc(c1)S(=O)(=O)NC)N1Cc2cnc(N)nc2CC1
InChi:InChI=1S/C13H15N5O4S/c1-15-23(20,21)11-4-8(7-22-11)12(19)18-3-2-10-9(6-18)5-16-13(14)17-10/h4-5,7,15H,2-3,6H2,1H3,(H2,14,16,17)
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide
RMU
RMU
表記:4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
組成式:C12 H9 Cl N4 O4 S
SMILES:O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O
InChi:InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
QUC
QUC
表記:(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid
組成式:C14 H16 Cl N3 O4 S
SMILES:O=S(=O)(c1c[NH]c2ncc(Cl)cc21)N1CCCC(C(=O)O)C1C
InChi:InChI=1S/C14H16ClN3O4S/c1-8-10(14(19)20)3-2-4-18(8)23(21,22)12-7-17-13-11(12)5-9(15)6-16-13/h5-8,10H,2-4H2,1H3,(H,16,17)(H,19,20)/t8-,10+/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic 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
QUR
QUR
表記:(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
組成式:C14 H14 N2 O5
SMILES:O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12
InChi:InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
RNC
RNC
表記:[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone
組成式:C11 H12 N6 O3
SMILES:CNc1ncc(nc1)C(=O)N1CC(C1)c1nc(O)on1
InChi:InChI=1S/C11H12N6O3/c1-12-8-3-13-7(2-14-8)10(18)17-4-6(5-17)9-15-11(19)20-16-9/h2-3,6H,4-5H2,1H3,(H,12,14)(H,15,16,19)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone
QV1
QV1
表記:(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
組成式:C14 H14 N2 O5
SMILES:O=C(O)C1CN(CC1C)C(=O)c1cccc2NC(=O)Oc12
InChi:InChI=1S/C14H14N2O5/c1-7-5-16(6-9(7)13(18)19)12(17)8-3-2-4-10-11(8)21-14(20)15-10/h2-4,7,9H,5-6H2,1H3,(H,15,20)(H,18,19)/t7-,9-/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid
RNL
RNL
表記:(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid
組成式:C13 H15 N5 O4
SMILES:O=C(O)C1CC1C(=O)NCCc1nnc2n1C=CN(C)C2=O
InChi:InChI=1S/C13H15N5O4/c1-17-4-5-18-9(15-16-10(18)12(17)20)2-3-14-11(19)7-6-8(7)13(21)22/h4-5,7-8H,2-3,6H2,1H3,(H,14,19)(H,21,22)/t7-,8+/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid
QVC
QVC
表記:(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine
組成式:C15 H11 N5 O
SMILES:Cc1nc(on1)c1cc(ncc1)c1ccnc2[NH]ccc21
InChi:InChI=1S/C15H11N5O/c1-9-19-15(21-20-9)10-2-5-16-13(8-10)11-3-6-17-14-12(11)4-7-18-14/h2-8H,1H3,(H,17,18)
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine
QVL
QVL
表記:N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
組成式:C11 H11 N7 O
SMILES:O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1
InChi:InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17)
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
QVX
QVX
表記:(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C22 H19 N3 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(cc1)Nc1cccnc1
InChi:InChI=1S/C22H19N3O4/c26-19-5-1-4-16-17(19)11-18(22(28)29)20(16)25-21(27)13-6-8-14(9-7-13)24-15-3-2-10-23-12-15/h1-10,12,18,20,24,26H,11H2,(H,25,27)(H,28,29)/t18-,20+/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
QW3
QW3
表記:(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C21 H21 N3 O6
SMILES:O=C(NC1CC1)Nc1ccc(c(O)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H21N3O6/c25-16-3-1-2-12-14(16)9-15(20(28)29)18(12)24-19(27)13-7-6-11(8-17(13)26)23-21(30)22-10-4-5-10/h1-3,6-8,10,15,18,25-26H,4-5,9H2,(H,24,27)(H,28,29)(H2,22,23,30)/t15-,18+/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
ROO
ROO
表記:2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
組成式:C17 H14 N4 O3
SMILES:OC(=O)c1cc(CNc2ncnc3[NH]c4ccccc4c32)oc1C
InChi:InChI=1S/C17H14N4O3/c1-9-12(17(22)23)6-10(24-9)7-18-15-14-11-4-2-3-5-13(11)21-16(14)20-8-19-15/h2-6,8H,7H2,1H3,(H,22,23)(H2,18,19,20,21)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid
QWC
QWC
表記:(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C21 H21 N3 O6
SMILES:O=C(NC1CC1)Nc1ccc(c(O)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H21N3O6/c25-16-3-1-2-12-14(16)9-15(20(28)29)18(12)24-19(27)13-7-6-11(8-17(13)26)23-21(30)22-10-4-5-10/h1-3,6-8,10,15,18,25-26H,4-5,9H2,(H,24,27)(H,28,29)(H2,22,23,30)/t15-,18+/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
RP0
RP0
表記:4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide
組成式:C13 H10 Br N3 O4 S
SMILES:O=S(=O)(Nc1cc(C#N)c(Br)cc1)c1cc(oc1C)C(N)=O
InChi:InChI=1S/C13H10BrN3O4S/c1-7-12(5-11(21-7)13(16)18)22(19,20)17-9-2-3-10(14)8(4-9)6-15/h2-5,17H,1H3,(H2,16,18)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide
QWO
QWO
表記:(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C22 H20 N4 O5 S
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc(NC(=O)NC2CC2)c2ncsc12
InChi:InChI=1S/C22H20N4O5S/c27-16-3-1-2-11-13(16)8-14(21(29)30)17(11)26-20(28)12-6-7-15(18-19(12)32-9-23-18)25-22(31)24-10-4-5-10/h1-3,6-7,9-10,14,17,27H,4-5,8H2,(H,26,28)(H,29,30)(H2,24,25,31)/t14-,17+/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QWX
QWX
表記:(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C21 H22 N4 O5
SMILES:O=C(NC1CC1)Nc1ccc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H22N4O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9,22H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
QX5
QX5
表記:(1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C21 H22 N4 O5
SMILES:O=C(NC1CC1)Nc1ccc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O
InChi:InChI=1S/C21H22N4O5/c22-16-8-11(24-21(30)23-10-4-5-10)6-7-13(16)19(27)25-18-12-2-1-3-17(26)14(12)9-15(18)20(28)29/h1-3,6-8,10,15,18,26H,4-5,9,22H2,(H,25,27)(H,28,29)(H2,23,24,30)/t15-,18+/m0/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
RPU
RPU
表記:(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid
組成式:C18 H19 N O6
SMILES:CC(Cc1ccco1)C(=O)NC(CC(=O)O)c1ccc2OCOc2c1
InChi:InChI=1S/C18H19NO6/c1-11(7-13-3-2-6-23-13)18(22)19-14(9-17(20)21)12-4-5-15-16(8-12)25-10-24-15/h2-6,8,11,14H,7,9-10H2,1H3,(H,19,22)(H,20,21)/t11-,14-/m1/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid
QXC
QXC
表記:N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
組成式:C12 H11 N5
SMILES:n1cnc(NCc2ccccn2)c2cc[NH]c12
InChi:InChI=1S/C12H11N5/c1-2-5-13-9(3-1)7-15-12-10-4-6-14-11(10)16-8-17-12/h1-6,8H,7H2,(H2,14,15,16,17)
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
QXL
QXL
表記:(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione
組成式:C11 H14 N4 O2 S
SMILES:O=S1(=O)CCCC(Nc2ncnc3[NH]ccc32)C1
InChi:InChI=1S/C11H14N4O2S/c16-18(17)5-1-2-8(6-18)15-11-9-3-4-12-10(9)13-7-14-11/h3-4,7-8H,1-2,5-6H2,(H2,12,13,14,15)/t8-/m1/s1
定義日:2022-06-14
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione
RQ8
RQ8
表記:3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine
組成式:C16 H14 Br F2 N3 O3
SMILES:Brc1cc(CC(NC(=O)c2cc(cnc2)C(C)(F)F)C(=O)O)cnc1
InChi:InChI=1S/C16H14BrF2N3O3/c1-16(18,19)11-4-10(6-21-7-11)14(23)22-13(15(24)25)3-9-2-12(17)8-20-5-9/h2,4-8,13H,3H2,1H3,(H,22,23)(H,24,25)/t13-/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine

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件を2024-10-16に公開中

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