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canSAR654948
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NAMES
    SMILES
    O=C(O)CC1CC2(CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c2cc(Cl)ccc21
    InChI
    InChI=1S/C26H33ClN2O3/c27-20-1-2-21-19(12-23(30)31)14-26(22(21)13-20)3-5-29(6-4-26)25(32)28-24-17-8-15-7-16(10-17)11-18(24)9-15/h1-2,13,15-19,24H,3-12,14H2,(H,28,32)(H,30,31)
    MOLECULAR FORMULA
    C26H33ClN2O3
    CROSS REFERENCES
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    canSAR654948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.22
    AlogP 5.17
    HBond donors 2
    HBond acceptors 5
    Atoms 65
    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 canSAR654948.