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canSAR1114862
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NAMES
    SMILES
    Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2Oc2ccnc(Nc3ccc(C#N)cc3)n2)c1
    InChI
    InChI=1S/C26H19ClN4O2/c1-16-11-17(2)13-19(12-16)25(32)22-14-20(27)5-8-23(22)33-24-9-10-29-26(31-24)30-21-6-3-18(15-28)4-7-21/h3-14H,1-2H3,(H,29,30,31)
    MOLECULAR FORMULA
    C26H19ClN4O2
    CROSS REFERENCES
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    canSAR1114862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.12
    AlogP 6.39
    HBond donors 1
    HBond acceptors 6
    Atoms 52
    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 canSAR1114862.