canSAR857658
FEATURES
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NAMES
    SMILES
    Cl.O=C(c1cn2c3c(cccc13)OC[C@@H]2C1CCCCC1)N1CCN2CCCC[C@H]2C1
    InChI
    InChI=1S/C25H33N3O2.ClH/c29-25(27-14-13-26-12-5-4-9-19(26)15-27)21-16-28-22(18-7-2-1-3-8-18)17-30-23-11-6-10-20(21)24(23)28;/h6,10-11,16,18-19,22H,1-5,7-9,12-15,17H2;1H/t19-,22+;/m0./s1
    MOLECULAR FORMULA
    C25H34ClN3O2
    CROSS REFERENCES
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    canSAR857658
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.23
    AlogP4.89
    HBond donors0
    HBond acceptors5
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857658.