canSAR2255533
FEATURES
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NAMES
    SMILES
    CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3Cl)ccc21
    InChI
    InChI=1S/C27H32ClNO3/c1-17(2)10-19-4-5-22(26(28)11-19)16-32-24-8-9-25-18(3)21(7-6-20(25)12-24)13-29-14-23(15-29)27(30)31/h4-5,8-9,11-12,17,23H,6-7,10,13-16H2,1-3H3,(H,30,31)
    MOLECULAR FORMULA
    C27H32ClNO3
    CROSS REFERENCES
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    canSAR2255533
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight453.21
    AlogP5.85
    HBond donors1
    HBond acceptors4
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255533.