小分子和化合物库

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  1. Midostaurin (PKC412)
    CAS号: 120685-11-2        Compound CID : 9829523
    分子式: C35H30N4O4        分子量: 570.64
    IUPAC 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-methylbenzamide
    SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC
    InChIKey: BMGQWWVMWDBQGC-IIFHNQTCSA-N
    InChI: 1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40See more
  2. Clopidogrel hydrogensulfate
      规格或纯度 :
    • ≥99%
    CAS号: 135046-48-9        Compound CID : 16757820
    分子式: C16H16ClNO2S · H2SO4        分子量: 419.9
    IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid
    SMILES: COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.OS(=O)(=O)O
    InChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-N
    InChI: 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)
  3. 地喹氯铵
    CAS号: 522-51-0
    分子式: C30H40Cl2N4        分子量: 527.57
    IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride
    SMILES: [Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34
    InChIKey: LTNZEXKYNRNOGT-UHFFFAOYSA-N
    InChI: 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
  4. 3-Deazaneplanocin A hydrochloride
      规格或纯度 :
    • ≥99%
    CAS号: 120964-45-6        Compound CID : 14563109
    分子式: C12H14N4O3 · HCl        分子量: 298.73
    IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
    SMILES: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl
    InChIKey: UNSKMHKAFPRFTI-FDKLLANESA-N
    InChI: 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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