小分子和化合物库
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Roxadustat (FG-4592)CAS号 : 808118-40-3(DMSO)分子式: C19H16N2O5 分子量: 352.34SMILES: CC1=NC(=C(O)C2=C1C=C(OC3=CC=CC=C3)C=C2)C(=O)NCC(O)=O
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IOX2CAS号 : 931398-72-0(DMSO)分子式: C19H16N2O5 分子量: 352.34SMILES: OC(=O)CNC(=O)C1=C(O)C2=C(C=CC=C2)N(CC3=CC=CC=C3)C1=O
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TP0463518CAS号 : 1558021-37-6 Compound CID : 73052863分子式: C20H18ClN3O6 分子量: 431.83IUPAC Name: 2-[[1-[[6-(4-chlorophenoxy)pyridin-3-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acidSMILES: C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)ClInChIKey: HMMHKGLPKAQOOH-UHFFFAOYSA-NInChI: InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
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IOX4CAS号 : 1154097-71-8 Compound CID : 24812792分子式: C15H16N6O3 分子量: 328.33IUPAC Name: tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3InChIKey: HWQQDVNGHZIALS-UHFFFAOYSA-NInChI: InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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FG-2216CAS号 : 223387-75-5 Compound CID : 6914666分子式: C12H9ClN2O4 分子量: 280.66IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acidSMILES: C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)OInChIKey: OUQVKRKGTAUJQA-UHFFFAOYSA-NInChI: InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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MK-8617CAS号 : 1187990-87-9 Compound CID : 44230662分子式: C24H21N5O4 分子量: 443.45IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamideSMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4InChIKey: WXLPERVDMILVIF-UHFFFAOYSA-NInChI: InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
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Enarodustat (JTZ-951)CAS号 : 1262132-81-9 Compound CID : 50899324分子式: C17H16N4O4 分子量: 340.33IUPAC Name: 2-[[7-oxo-5-(2-phenylethyl)-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetic acidSMILES: C1=CC=C(C=C1)CCC2=CC(=O)C(=C3N2NC=N3)C(=O)NCC(=O)OInChIKey: FJYRBJKWDXVHHO-UHFFFAOYSA-NInChI: InChI=1S/C17H16N4O4/c22-13-8-12(7-6-11-4-2-1-3-5-11)21-16(19-10-20-21)15(13)17(25)18-9-14(23)24/h1-5,8,10H,6-7,9H2,(H,18,25)(H,19,20)(H,23,24)
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FG-2216CAS号 : 223387-75-5 Compound CID : 6914666分子式: C12H9ClN2O4 分子量: 280.66IUPAC Name: 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acidSMILES: C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)OInChIKey: OUQVKRKGTAUJQA-UHFFFAOYSA-NInChI: InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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IOX4CAS号 : 1154097-71-8 Compound CID : 24812792分子式: C15H16N6O3 分子量: 328.33IUPAC Name: tert-butyl 6-[3-oxo-4-(triazol-1-yl)-1H-pyrazol-2-yl]pyridine-3-carboxylateSMILES: CC(C)(C)OC(=O)C1=CN=C(C=C1)N2C(=O)C(=CN2)N3C=CN=N3InChIKey: HWQQDVNGHZIALS-UHFFFAOYSA-NInChI: InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,18H,1-3H3
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MK-8617CAS号 : 1187990-87-9 Compound CID : 44230662分子式: C24H21N5O4 分子量: 443.45IUPAC Name: N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamideSMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4InChIKey: WXLPERVDMILVIF-UHFFFAOYSA-NInChI: InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
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TP0463518CAS号 : 1558021-37-6 Compound CID : 73052863分子式: C20H18ClN3O6 分子量: 431.83IUPAC Name: 2-[[1-[[6-(4-chlorophenoxy)pyridin-3-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acidSMILES: C1CN(C(=O)C(=C1O)C(=O)NCC(=O)O)CC2=CN=C(C=C2)OC3=CC=C(C=C3)ClInChIKey: HMMHKGLPKAQOOH-UHFFFAOYSA-NInChI: InChI=1S/C20H18ClN3O6/c21-13-2-4-14(5-3-13)30-16-6-1-12(9-22-16)11-24-8-7-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-6,9,25H,7-8,10-11H2,(H,23,28)(H,26,27)
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8-羟基喹啉-5-羧酸CAS号 : 5852-78-8(DMSO) Compound CID : 459617分子式: C10H7NO3 分子量: 189.17IUPAC Name: 8-hydroxyquinoline-5-carboxylic acidSMILES: C1=CC2=C(C=CC(=C2N=C1)O)C(=O)OInChIKey: JGRPKOGHYBAVMW-UHFFFAOYSA-NInChI: InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
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