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canSAR1429200
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NAMES
    SMILES
    CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)NCCC4)nn3ccnc23)n1
    InChI
    InChI=1S/C25H27N7/c1-17-5-4-13-31(17)24-8-2-7-23(29-24)28-22-16-21(30-32-14-12-27-25(22)32)19-10-9-18-6-3-11-26-20(18)15-19/h2,7-10,12,14-17,26H,3-6,11,13H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C25H27N7
    CROSS REFERENCES
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    canSAR1429200

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.23
    AlogP 4.88
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR1429200.