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canSAR832371
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C(Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1
    InChI
    InChI=1S/C36H39N3O2/c1-25(2)27-15-17-29(18-16-27)37-35(40)41-30-19-20-32-31(24-30)36(3)21-22-39(34(36)38(32)4)33(28-13-9-6-10-14-28)23-26-11-7-5-8-12-26/h5-20,24-25,33-34H,21-23H2,1-4H3,(H,37,40)/t33?,34-,36-/m0/s1
    MOLECULAR FORMULA
    C36H39N3O2
    CROSS REFERENCES
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    canSAR832371

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.30
    AlogP 8.14
    HBond donors 1
    HBond acceptors 5
    Atoms 80
    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 canSAR832371.