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canSAR1151998
FEATURES
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NAMES
    SMILES
    Cn1c(=O)cc(Oc2nc(NCCCl)nc(Nc3ccc(C#N)cc3)n2)c2ccccc21
    InChI
    InChI=1S/C22H18ClN7O2/c1-30-17-5-3-2-4-16(17)18(12-19(30)31)32-22-28-20(25-11-10-23)27-21(29-22)26-15-8-6-14(13-24)7-9-15/h2-9,12H,10-11H2,1H3,(H2,25,26,27,28,29)
    MOLECULAR FORMULA
    C22H18ClN7O2
    CROSS REFERENCES
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    canSAR1151998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.12
    AlogP 3.78
    HBond donors 2
    HBond acceptors 9
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1151998.