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canSAR654786
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NAMES
    SMILES
    Cc1ccc(CN2CCC(n3cnc4c(N5CCOCC5)nc(-c5cncc(O)c5)nc43)CC2)cc1
    InChI
    InChI=1S/C27H31N7O2/c1-19-2-4-20(5-3-19)17-32-8-6-22(7-9-32)34-18-29-24-26(33-10-12-36-13-11-33)30-25(31-27(24)34)21-14-23(35)16-28-15-21/h2-5,14-16,18,22,35H,6-13,17H2,1H3
    MOLECULAR FORMULA
    C27H31N7O2
    CROSS REFERENCES
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    canSAR654786

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.25
    AlogP 3.58
    HBond donors 1
    HBond acceptors 9
    Atoms 67
    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 canSAR654786.