小分子和化合物库
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                        Midostaurin (PKC412)CAS号: 120685-11-2 Compound CID : 9829523分子式: C35H30N4O4 分子量: 570.64IUPAC Name: N-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamideSMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OCInChIKey: BMGQWWVMWDBQGC-IIFHNQTCSA-NInChI: See more
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                        Clopidogrel hydrogensulfateCAS号: 135046-48-9 Compound CID : 16757820分子式: C16H16ClNO2S · H2SO4 分子量: 419.9IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acidSMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)OInChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-NInChI: 1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)
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                        地喹氯铵CAS号: 522-51-0分子式: C30H40Cl2N4 分子量: 527.57IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichlorideSMILES: [Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34InChIKey: LTNZEXKYNRNOGT-UHFFFAOYSA-NInChI: 1S/C30H38N4.2ClH/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H
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                        3-Deazaneplanocin A hydrochlorideCAS号: 120964-45-6 Compound CID : 14563109分子式: C12H14N4O3 · HCl 分子量: 298.73IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochlorideSMILES: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.ClInChIKey: UNSKMHKAFPRFTI-FDKLLANESA-NInChI: 1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
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