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canSAR1591444
FEATURES
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NAMES
    SMILES
    O=C(NN=Cc1ccc(O)cc1)NC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C18H23N3O2/c22-16-3-1-12(2-4-16)11-19-21-17(23)20-18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,11,13-15,22H,5-10H2,(H2,20,21,23)
    MOLECULAR FORMULA
    C18H23N3O2
    CROSS REFERENCES
    1591444 logo

    canSAR1591444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 313.18
    AlogP 2.99
    HBond donors 3
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591444.