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canSAR1981413
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1Nc1nc2nc(NC(C)C)ccc2[nH]1
    InChI
    InChI=1S/C29H31N7O/c1-18(2)31-26-11-10-24-27(34-26)35-29(32-24)33-25-16-23(7-4-19(25)3)28(37)36-14-12-22(13-15-36)21-8-5-20(17-30)6-9-21/h4-11,16,18,22H,12-15H2,1-3H3,(H3,31,32,33,34,35)
    MOLECULAR FORMULA
    C29H31N7O
    CROSS REFERENCES
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    canSAR1981413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.26
    AlogP 5.72
    HBond donors 3
    HBond acceptors 8
    Atoms 68
    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 canSAR1981413.