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canSAR92424
FEATURES
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NAMES
    SMILES
    COc1c(Cl)ccc2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
    InChI
    InChI=1S/C27H38ClN3O3/c1-17-21(24(32)29-25-26(2,3)18-8-9-27(25,4)16-18)19-6-7-20(28)23(33-5)22(19)31(17)11-10-30-12-14-34-15-13-30/h6-7,18,25H,8-16H2,1-5H3,(H,29,32)/t18?,25-,27?/m0/s1
    MOLECULAR FORMULA
    C27H38ClN3O3
    CROSS REFERENCES
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    canSAR92424

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.26
    AlogP 4.89
    HBond donors 1
    HBond acceptors 6
    Atoms 72
    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 canSAR92424.