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canSAR546754
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NAMES
    SMILES
    CCC1CN2CCc3c([nH]c4ccccc34)C2CC1CC1NCCc2cc(OC)c(OC)cc21
    InChI
    InChI=1S/C29H37N3O2/c1-4-18-17-32-12-10-22-21-7-5-6-8-24(21)31-29(22)26(32)14-20(18)13-25-23-16-28(34-3)27(33-2)15-19(23)9-11-30-25/h5-8,15-16,18,20,25-26,30-31H,4,9-14,17H2,1-3H3
    MOLECULAR FORMULA
    C29H37N3O2
    CROSS REFERENCES
    546754 logo

    canSAR546754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.29
    AlogP 5.41
    HBond donors 2
    HBond acceptors 5
    Atoms 71
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546754.