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canSAR1132174
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NAMES
    SMILES
    COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
    InChI
    InChI=1S/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29)
    MOLECULAR FORMULA
    C22H17ClN6O2
    CROSS REFERENCES
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    canSAR1132174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.11
    AlogP 4.88
    HBond donors 3
    HBond acceptors 8
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1132174.