canSAR184625
FEATURES
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NAMES
    SMILES
    COc1ccc(Br)c2c(C(=O)N[C@@H]3C4(C)CCC(C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
    InChI
    InChI=1S/C27H38BrN3O3/c1-17-21(24(32)29-25-26(2,3)18-8-9-27(25,4)16-18)22-19(28)6-7-20(33-5)23(22)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
    C27H38BrN3O3
    CROSS REFERENCES
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    canSAR184625
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight531.21
    AlogP5.00
    HBond donors1
    HBond acceptors6
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR184625.