canSAR420894
FEATURES
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NAMES
    SMILES
    CC1(C)Oc2ccc(C#N)cc2[C@@H](NC(=O)c2cnccc2Cl)[C@@H]1O
    InChI
    InChI=1S/C18H16ClN3O3/c1-18(2)16(23)15(11-7-10(8-20)3-4-14(11)25-18)22-17(24)12-9-21-6-5-13(12)19/h3-7,9,15-16,23H,1-2H3,(H,22,24)/t15-,16+/m1/s1
    MOLECULAR FORMULA
    C18H16ClN3O3
    CROSS REFERENCES
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    canSAR420894
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight357.09
    AlogP2.61
    HBond donors2
    HBond acceptors6
    Atoms41
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR420894.