canSAR2095717
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]cc(C(=O)/C(C#N)=C/c3cccnc3)c2c1
    InChI
    InChI=1S/C18H13N3O2/c1-23-14-4-5-17-15(8-14)16(11-21-17)18(22)13(9-19)7-12-3-2-6-20-10-12/h2-8,10-11,21H,1H3/b13-7+
    MOLECULAR FORMULA
    C18H13N3O2
    CROSS REFERENCES
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    canSAR2095717
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight303.10
    AlogP3.36
    HBond donors1
    HBond acceptors5
    Atoms36
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095717.