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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
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
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
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
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
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
RQC
RQC
表記:(3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid
組成式:C14 H17 N5 O4
SMILES:O=C(O)C1CCN(C1)C(=O)CCC1=Nc2c(cnn2C)C(=O)N1
InChi:InChI=1S/C14H17N5O4/c1-18-12-9(6-15-18)13(21)17-10(16-12)2-3-11(20)19-5-4-8(7-19)14(22)23/h6,8H,2-5,7H2,1H3,(H,22,23)(H,16,17,21)/t8-/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)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid
RQI
RQI
表記:2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid
組成式:C14 H11 F N4 O3 S
SMILES:Fc1cc2[NH]cnc2cc1C(=O)NCCc1nc(cs1)C(=O)O
InChi:InChI=1S/C14H11FN4O3S/c15-8-4-10-9(17-6-18-10)3-7(8)13(20)16-2-1-12-19-11(5-23-12)14(21)22/h3-6H,1-2H2,(H,16,20)(H,17,18)(H,21,22)
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-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid
RQR
RQR
表記:(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
組成式:C13 H11 N3 O3 S
SMILES:O=C(O)C1C=CC(C1)NC(=O)c1ncnc2sccc12
InChi:InChI=1S/C13H11N3O3S/c17-11(16-8-2-1-7(5-8)13(18)19)10-9-3-4-20-12(9)15-6-14-10/h1-4,6-8H,5H2,(H,16,17)(H,18,19)/t7-,8+/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）:(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
RR3
RR3
表記:1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide
組成式:C15 H14 N6 O2 S
SMILES:N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c12
InChi:InChI=1S/C15H14N6O2S/c1-21-14-13(8-19-21)17-10-18-15(14)20-24(22,23)9-12-4-2-11(3-5-12)6-7-16/h2-5,8,10H,6,9H2,1H3,(H,17,18,20)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide
RRF
RRF
表記:(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C18 H15 N3 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1
InChi:InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/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）:(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
RS0
RS0
表記:(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C18 H15 N3 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1
InChi:InChI=1S/C18H15N3O4/c22-15-3-1-2-10-11(15)7-12(18(24)25)16(10)21-17(23)9-4-5-13-14(6-9)20-8-19-13/h1-6,8,12,16,22H,7H2,(H,19,20)(H,21,23)(H,24,25)/t12-,16+/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）:(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
RS9
RS9
表記:(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C19 H17 N3 O5
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2nc(CO)[NH]c2cc1
InChi:InChI=1S/C19H17N3O5/c23-8-16-20-13-5-4-9(6-14(13)21-16)18(25)22-17-10-2-1-3-15(24)11(10)7-12(17)19(26)27/h1-6,12,17,23-24H,7-8H2,(H,20,21)(H,22,25)(H,26,27)/t12-,17-/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)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid
RSR
RSR
表記:(8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H17 F2 N5 O2
SMILES:O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/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）:(8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
RT5
RT5
表記:(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H17 F2 N5 O2
SMILES:O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C18H17F2N5O2/c19-9-2-3-10-11(6-9)22-13-12(10)14(24-16(21)23-13)25-7-17(4-1-5-17)18(20,8-25)15(26)27/h2-3,6H,1,4-5,7-8H2,(H,26,27)(H3,21,22,23,24)/t18-/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）:(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
RTI
RTI
表記:(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C19 H16 N2 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1
InChi:InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/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）:(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
RTU
RTU
表記:(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C19 H16 N2 O4
SMILES:O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc2cc[NH]c2cc1
InChi:InChI=1S/C19H16N2O4/c22-16-3-1-2-12-13(16)9-14(19(24)25)17(12)21-18(23)11-4-5-15-10(8-11)6-7-20-15/h1-8,14,17,20,22H,9H2,(H,21,23)(H,24,25)/t14-,17+/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）:(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
RV3
RV3
表記:3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
組成式:C18 H14 N4 O3
SMILES:O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1ccc2[NH]cnc2c1
InChi:InChI=1S/C18H14N4O3/c23-17(10-5-6-14-15(7-10)21-9-20-14)19-8-12-11-3-1-2-4-13(11)22-16(12)18(24)25/h1-7,9,22H,8H2,(H,19,23)(H,20,21)(H,24,25)
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-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
RVF
RVF
表記:3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
組成式:C18 H14 N4 O4
SMILES:O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1
InChi:InChI=1S/C18H14N4O4/c23-16(9-5-6-13-14(7-9)22-18(26)21-13)19-8-11-10-3-1-2-4-12(10)20-15(11)17(24)25/h1-7,20H,8H2,(H,19,23)(H,24,25)(H2,21,22,26)
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-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
YOA
YOA
表記:5'-{[(2R,3S)-3-amino-2-({2-[(N-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
組成式:C25 H44 N9 O12 P S3
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)CS
InChi:InChI=1S/C25H44N9O12PS3/c1-25(2,10-45-47(40,41)42)20(38)23(39)29-4-3-16(35)28-5-6-49-15(13(26)8-48)9-50(43,44)33-7-14-18(36)19(37)24(46-14)34-12-32-17-21(27)30-11-31-22(17)34/h11-15,18-20,24,33,36-38,48H,3-10,26H2,1-2H3,(H,28,35)(H,29,39)(H2,27,30,31)(H2,40,41,42)/t13-,14+,15-,18+,19+,20-,24+/m0/s1
定義日:2021-03-16
最終更新日:2022-06-29
公開日:2022-02-02
識別子（ID）:5'-{[(2R,3S)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-sulfanylbutane-1-sulfonyl]amino}-5'-deoxyadenosine
ZQV
ZQV
表記:5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
組成式:C28 H25 Cl N4 O4
SMILES:CC(=O)NC1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)O)c(C)cc3)[NH]c2cc1Cl
InChi:InChI=1S/C28H25ClN4O4/c1-15-3-12-21(13-22(15)27(35)36)37-28-31-24-14-23(29)25(32-26(24)33-28)19-6-4-17(5-7-19)18-8-10-20(11-9-18)30-16(2)34/h3-8,12-14,20H,9-11H2,1-2H3,(H,30,34)(H,35,36)(H,31,32,33)/t20-/m0/s1
定義日:2021-05-21
最終更新日:2022-06-24
公開日:2022-06-29
識別子（ID）:5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
WB2
WB2
表記:2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
組成式:C52 H48 N4 O14 S2
SMILES:COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)C(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)C(C)C)cc7)C(O)=O)C(O)=O
InChi:InChI=1S/C52H48N4O14S2/c1-27(2)43(57)53-33-17-11-29(12-18-33)45(59)55-51(49(63)64)41(31-15-21-35(37(25-31)67-5)69-47(61)39-9-7-23-71-39)52(50(65)66,56-46(60)30-13-19-34(20-14-30)54-44(58)28(3)4)42(51)32-16-22-36(38(26-32)68-6)70-48(62)40-10-8-24-72-40/h7-28,41-42H,1-6H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)(H,63,64)(H,65,66)/t41-,42+,51+,52-
定義日:2022-04-01
最終更新日:2022-06-24
公開日:2022-06-29
識別子（ID）:2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-(2-methylpropanoylamino)phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid
1IF
1IF
表記:3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
組成式:C21 H14 F3 N3 O
SMILES:Nc1ccc(C#Cc2cccc(c2)C(=O)Nc2cc(ccc2)C(F)(F)F)cn1
InChi:InChI=1S/C21H14F3N3O/c22-21(23,24)17-5-2-6-18(12-17)27-20(28)16-4-1-3-14(11-16)7-8-15-9-10-19(25)26-13-15/h1-6,9-13H,(H2,25,26)(H,27,28)
定義日:2021-06-22
最終更新日:2022-06-24
公開日:2022-06-29
識別子（ID）:3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide
1IJ
1IJ
表記:N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
組成式:C20 H17 F3 N4 O3
SMILES:Nc1ncc(Oc2cc(CCNC(=O)c3cccc(OC(F)(F)F)c3)ccc2)cn1
InChi:InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-2-4-14(10-16)18(28)25-8-7-13-3-1-5-15(9-13)29-17-11-26-19(24)27-12-17/h1-6,9-12H,7-8H2,(H,25,28)(H2,24,26,27)
定義日:2021-06-22
最終更新日:2022-06-24
公開日:2022-06-29
識別子（ID）:N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide
1IM
1IM
表記:2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide
組成式:C22 H15 F3 N2 O
SMILES:FC(F)(F)c1cc(ccc1)NC(=O)Cc1cccc(C#Cc2cccnc2)c1
InChi:InChI=1S/C22H15F3N2O/c23-22(24,25)19-7-2-8-20(14-19)27-21(28)13-18-5-1-4-16(12-18)9-10-17-6-3-11-26-15-17/h1-8,11-12,14-15H,13H2,(H,27,28)
定義日:2021-06-22
最終更新日:2022-06-24
公開日:2022-06-29
識別子（ID）:2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide

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件を2024-07-10に公開中

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