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canSAR1617989
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NAMES
    SMILES
    Cc1ccc(NC(=O)/C=C/CN(C)C)cc1C(=O)Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
    InChI
    InChI=1S/C29H29N7O2/c1-20-8-9-24(32-27(37)7-5-17-36(2)3)18-25(20)28(38)33-22-10-12-23(13-11-22)34-29-31-16-14-26(35-29)21-6-4-15-30-19-21/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
    MOLECULAR FORMULA
    C29H29N7O2
    CROSS REFERENCES
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    canSAR1617989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 507.24
    AlogP 4.90
    HBond donors 3
    HBond acceptors 9
    Atoms 67
    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 canSAR1617989.