小分子和化合物库

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  1. AT7519,CDK抑制剂
    CAS号 : 844442-38-2        Compound CID : 11338033
    分子式: C16H17Cl2N5O2        分子量: 382.24
    IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
    SMILES: C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl
    InChIKey: OVPNQJVDAFNBDN-UHFFFAOYSA-N
    InChI: InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
  2. 夫拉平度
    CAS号 : 146426-40-6        Compound CID : 5287969
    分子式: C21H20ClNO5        分子量: 401.85
    IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
    SMILES: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
    InChIKey: BIIVYFLTOXDAOV-YVEFUNNKSA-N
    InChI: InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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