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canSAR1090337
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NAMES
    SMILES
    O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
    InChI
    InChI=1S/C31H39N3O2/c35-28(21-31-18-23-15-24(19-31)17-25(16-23)20-31)32-22-29(36)33-11-13-34(14-12-33)30(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1-10,23-25,30H,11-22H2,(H,32,35)
    MOLECULAR FORMULA
    C31H39N3O2
    CROSS REFERENCES
    1090337 logo

    canSAR1090337

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.30
    AlogP 4.64
    HBond donors 1
    HBond acceptors 5
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1090337.