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canSAR744485
FEATURES
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NAMES
    SMILES
    Br.CCCCCCCCCCOc1ccc2c3ccnc(C)c3n(CCCC)c2c1
    InChI
    InChI=1S/C26H38N2O.BrH/c1-4-6-8-9-10-11-12-13-19-29-22-14-15-23-24-16-17-27-21(3)26(24)28(18-7-5-2)25(23)20-22;/h14-17,20H,4-13,18-19H2,1-3H3;1H
    MOLECULAR FORMULA
    C26H39BrN2O
    CROSS REFERENCES
    744485 logo

    canSAR744485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.22
    AlogP 8.40
    HBond donors 0
    HBond acceptors 3
    Atoms 69
    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 canSAR744485.