canSAR2172191
FEATURES
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NAMES
    SMILES
    O=C(N[C@@H]1CCCc2cccc(Cl)c21)C1COc2ncccc21
    InChI
    InChI=1S/C18H17ClN2O2/c19-14-7-1-4-11-5-2-8-15(16(11)14)21-17(22)13-10-23-18-12(13)6-3-9-20-18/h1,3-4,6-7,9,13,15H,2,5,8,10H2,(H,21,22)/t13?,15-/m1/s1
    MOLECULAR FORMULA
    C18H17ClN2O2
    CROSS REFERENCES
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    canSAR2172191
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight328.10
    AlogP3.40
    HBond donors1
    HBond acceptors4
    Atoms40
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2172191.