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canSAR2000504
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NAMES
    SMILES
    CC(=O)N1CCc2c([nH]c3ccccc23)C12CCC(c1ccccc1)(N(C)C)CC2
    InChI
    InChI=1S/C26H31N3O/c1-19(30)29-18-13-22-21-11-7-8-12-23(21)27-24(22)26(29)16-14-25(15-17-26,28(2)3)20-9-5-4-6-10-20/h4-12,27H,13-18H2,1-3H3
    MOLECULAR FORMULA
    C26H31N3O
    CROSS REFERENCES
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    canSAR2000504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.25
    AlogP 4.80
    HBond donors 1
    HBond acceptors 4
    Atoms 61
    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 canSAR2000504.