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canSAR741462
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NAMES
    SMILES
    CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N[C@H]3CC[C@H](N(CC4CC4)CC4CC4)CC3)nc21
    InChI
    InChI=1S/C35H45N7/c1-24(2)42-23-37-32-33(36-20-25-12-14-29(15-13-25)28-6-4-3-5-7-28)39-35(40-34(32)42)38-30-16-18-31(19-17-30)41(21-26-8-9-26)22-27-10-11-27/h3-7,12-15,23-24,26-27,30-31H,8-11,16-22H2,1-2H3,(H2,36,38,39,40)/t30-,31-
    MOLECULAR FORMULA
    C35H45N7
    CROSS REFERENCES
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    canSAR741462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.37
    AlogP 7.53
    HBond donors 2
    HBond acceptors 7
    Atoms 87
    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 canSAR741462.