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U3U
U3U
表記:6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
組成式:C7 H7 Br N2 O4
SMILES:OC1=C(NC(Br)=CC1=O)C(=O)NOC
InChi:InChI=1S/C7H7BrN2O4/c1-14-10-7(13)5-6(12)3(11)2-4(8)9-5/h2,12H,1H3,(H,9,11)(H,10,13)
定義日:2022-08-03
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
7VK
7VK
表記:2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
組成式:C28 H20 N2 O7
SMILES:OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
InChi:InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
定義日:2021-09-09
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
JYR
JYR
表記:methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate
組成式:C10 H7 N O5 S
SMILES:COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O
InChi:InChI=1S/C10H7NO5S/c1-16-10(13)9-8(12)6-4-5(11(14)15)2-3-7(6)17-9/h2-4,12H,1H3
定義日:2022-09-02
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:methyl 5-nitro-3-oxidanyl-1-benzothiophene-2-carboxylate
O2U
O2U
表記:[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid
組成式:C6 H7 N O5
SMILES:O=C1C(CC(=O)O)CC(=O)N1O
InChi:InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1
定義日:2022-04-19
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid
PJN
PJN
表記:(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
組成式:C23 H16 N2 O6
SMILES:Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4
InChi:InChI=1S/C23H16N2O6/c26-18-9-5-4-8-17(18)24-20(14-10-12-16(13-11-14)25(30)31)19(22(28)23(24)29)21(27)15-6-2-1-3-7-15/h1-13,20,26,28H/t20-/m1/s1
定義日:2020-04-22
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
PQO
PQO
表記:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
組成式:C6 H5 Br N2 O3
SMILES:OC1=C(NC(Br)=CC1=O)C(N)=O
InChi:InChI=1S/C6H5BrN2O3/c7-3-1-2(10)5(11)4(9-3)6(8)12/h1,11H,(H2,8,12)(H,9,10)
定義日:2022-05-29
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
Q3O
Q3O
表記:3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
組成式:C6 H5 N O4
SMILES:OC1=C(NC=CC1=O)C(=O)O
InChi:InChI=1S/C6H5NO4/c8-3-1-2-7-4(5(3)9)6(10)11/h1-2,9H,(H,7,8)(H,10,11)
定義日:2022-06-01
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
C0I
C0I
表記:(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
組成式:C40 H46 N6 O2
SMILES:O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)NCCc6c[nH]c7ccccc67
InChi:InChI=1S/C40H46N6O2/c47-39(43-23-20-30-25-44-35-13-4-1-10-32(30)35)29-18-16-28(17-19-29)26-46-24-7-9-31(27-46)40(48)42-22-8-21-41-38-33-11-2-5-14-36(33)45-37-15-6-3-12-34(37)38/h1-2,4-5,10-11,13-14,16-19,25,31,44H,3,6-9,12,15,20-24,26-27H2,(H,41,45)(H,42,48)(H,43,47)/t31-/m0/s1
定義日:2021-12-14
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
QEO
QEO
表記:2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
組成式:C17 H23 N5 O7
SMILES:OC1C=CC(NCc2cn(c3N=C(N)NC(=O)c32)C2OC(CO)C(O)C2O)C1O
InChi:InChI=1S/C17H23N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h1-2,4,7-9,11-13,16,19,23-27H,3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
定義日:2022-02-22
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-7-beta-D-ribofuranosyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
C4I
C4I
表記:(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
組成式:C40 H43 N5 O2
SMILES:O=C(NCCCNc1c2CCCCc2nc3ccccc13)[CH]4CCCN(C4)Cc5ccc(cc5)C(=O)Nc6cccc7ccccc67
InChi:InChI=1S/C40H43N5O2/c46-39(42-24-9-23-41-38-33-14-3-5-16-36(33)43-37-17-6-4-15-34(37)38)31-12-8-25-45(27-31)26-28-19-21-30(22-20-28)40(47)44-35-18-7-11-29-10-1-2-13-32(29)35/h1-3,5,7,10-11,13-14,16,18-22,31H,4,6,8-9,12,15,17,23-27H2,(H,41,43)(H,42,46)(H,44,47)/t31-/m0/s1
定義日:2021-12-14
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide
R6O
R6O
表記:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile
組成式:C6 H3 Br N2 O2
SMILES:OC1=C(C#N)NC(Br)=CC1=O
InChi:InChI=1S/C6H3BrN2O2/c7-5-1-4(10)6(11)3(2-8)9-5/h1,11H,(H,9,10)
定義日:2022-06-21
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile
R6X
R6X
表記:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
組成式:C6 H4 Br N O4
SMILES:OC1=C(NC(Br)=CC1=O)C(=O)O
InChi:InChI=1S/C6H4BrNO4/c7-3-1-2(9)5(10)4(8-3)6(11)12/h1,10H,(H,8,9)(H,11,12)
定義日:2022-06-21
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
R7C
R7C
表記:(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one
組成式:C6 H4 Br N5 O2
SMILES:OC1=C(NC(Br)=CC1=O)c1nnn[NH]1
InChi:InChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12)
定義日:2022-06-21
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one
CI8
CI8
表記:2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid
組成式:C29 H36 F2 N3 O7 S
SMILES:COc1cc2sc(CNC(=O)C3(CC(O)=O)Cc4cc(F)c(F)cc4C3)nc2cc1OCCC[N+](C)(CCO)CCO
InChi:InChI=1S/C29H35F2N3O7S/c1-34(5-7-35,6-8-36)4-3-9-41-24-12-22-25(13-23(24)40-2)42-26(33-22)17-32-28(39)29(16-27(37)38)14-18-10-20(30)21(31)11-19(18)15-29/h10-13,35-36H,3-9,14-17H2,1-2H3,(H-,32,37,38,39)/p+1
定義日:2021-12-14
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:3-[[2-[[[5,6-bis(fluoranyl)-2-(2-hydroxy-2-oxoethyl)-1,3-dihydroinden-2-yl]carbonylamino]methyl]-6-methoxy-1,3-benzothiazol-5-yl]oxy]propyl-bis(2-hydroxyethyl)-methyl-azanium
8QU
8QU
表記:(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid
組成式:C12 H12 N4 O5
SMILES:OC(=O)[CH]1CCCN(C1)c2ccc(c3nonc23)[N+]([O-])=O
InChi:InChI=1S/C12H12N4O5/c17-12(18)7-2-1-5-15(6-7)8-3-4-9(16(19)20)11-10(8)13-21-14-11/h3-4,7H,1-2,5-6H2,(H,17,18)/t7-/m0/s1
定義日:2021-12-24
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(3~{S})-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-3-carboxylic acid
8VP
8VP
表記:2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
組成式:C22 H24 N8 O S
SMILES:CCc1cnc(nc1)N2CCC(CC2)c3scc(COc4ccc(cc4)n5cnnn5)n3
InChi:InChI=1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
別名:MBX-2982
定義日:2021-12-27
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
8WL
8WL
表記:N-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
組成式:C21 H24 F N7 O5 S
SMILES:CC(C)c1noc(n1)C2CCN(CC2)c3ncnc(Nc4ccc(cc4F)[S](C)(=O)=O)c3[N+]([O-])=O
InChi:InChI=1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
別名:AR231453
定義日:2021-12-27
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:~{N}-(2-fluoranyl-4-methylsulfonyl-phenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
T6U
T6U
表記:(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
組成式:C8 H6 Br N3 O3
SMILES:OC1=C(NC(Br)=CC1=O)c1nc(C)on1
InChi:InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)
定義日:2022-07-19
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
8CQ
8CQ
表記:2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
組成式:C26 H17 N O8
SMILES:OC(=O)c1cc(ccc1O)N2[CH](c3ccc4C(=O)OCc4c3)C(=C(O)C2=O)C(=O)c5ccccc5
InChi:InChI=1S/C26H17NO8/c28-19-9-7-16(11-18(19)25(32)33)27-21(14-6-8-17-15(10-14)12-35-26(17)34)20(23(30)24(27)31)22(29)13-4-2-1-3-5-13/h1-11,21,28,30H,12H2,(H,32,33)/t21-/m1/s1
定義日:2021-10-08
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid
8KZ
8KZ
表記:3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol
組成式:C15 H14 O3
SMILES:COc1cc(O)cc(C=Cc2ccc(O)cc2)c1
InChi:InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+
別名:Pinostilbene
定義日:2021-12-21
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol
AY3
AY3
表記:4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid
組成式:C16 H11 N O3
SMILES:OC(=O)c1ccc(cc1)C=C2C(=O)Nc3ccccc23
InChi:InChI=1S/C16H11NO3/c18-15-13(12-3-1-2-4-14(12)17-15)9-10-5-7-11(8-6-10)16(19)20/h1-9H,(H,17,18)(H,19,20)/b13-9+
定義日:2021-12-06
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid
GC0
GC0
表記:(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
組成式:C36 H40 N12 O6
SMILES:Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc(OC)c2n1CCCC1COc2cc(cc3nc(NC(=O)c4cc(C)nn4CC)n1c23)C(N)=O)C(N)=O
InChi:InChI=1S/C36H40N12O6/c1-6-46-25(11-18(3)43-46)33(51)41-35-39-23-13-20(31(37)49)15-27(53-5)29(23)45(35)10-8-9-22-17-54-28-16-21(32(38)50)14-24-30(28)48(22)36(40-24)42-34(52)26-12-19(4)44-47(26)7-2/h11-16,22H,6-10,17H2,1-5H3,(H2,37,49)(H2,38,50)(H,39,41,51)(H,40,42,52)/t22-/m0/s1
定義日:2021-12-20
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
GD2
GD2
表記:(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
組成式:C20 H22 N6 O3
SMILES:Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc3OCC(CC=C)n1c32)C(N)=O
InChi:InChI=1S/C20H22N6O3/c1-4-6-13-10-29-16-9-12(18(21)27)8-14-17(16)26(13)20(22-14)23-19(28)15-7-11(3)24-25(15)5-2/h4,7-9,13H,1,5-6,10H2,2-3H3,(H2,21,27)(H,22,23,28)/t13-/m0/s1
定義日:2021-12-20
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:(3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
GID
GID
表記:5-nitro-1H-indole-2-carboxylic acid
組成式:C9 H6 N2 O4
SMILES:O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O
InChi:InChI=1S/C9H6N2O4/c12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8/h1-4,10H,(H,12,13)
定義日:2022-01-14
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:5-nitro-1H-indole-2-carboxylic acid
HZO
HZO
表記:2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
組成式:C19 H17 N O
SMILES:CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
InChi:InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
定義日:2021-03-05
最終更新日:2022-12-16
公開日:2022-12-21
識別子（ID）:2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one

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件を2024-09-11に公開中

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