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canSAR1116115
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NAMES
    SMILES
    O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
    InChI
    InChI=1S/C34H29N5O2/c40-34(36-22-25-10-4-1-5-11-25)39-28-18-16-24(17-19-28)20-21-35-32-30-29(26-12-6-2-7-13-26)31(27-14-8-3-9-15-27)41-33(30)38-23-37-32/h1-19,23H,20-22H2,(H,35,37,38)(H2,36,39,40)
    MOLECULAR FORMULA
    C34H29N5O2
    CROSS REFERENCES
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    canSAR1116115

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.23
    AlogP 7.53
    HBond donors 3
    HBond acceptors 7
    Atoms 70
    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 canSAR1116115.