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canSAR2017152
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc(OC)c1O
    InChI
    InChI=1S/C25H20ClN3O4/c1-32-22-11-15(12-23(33-2)24(22)30)14-27-29-25(31)18-13-21(17-8-3-5-9-19(17)26)28-20-10-6-4-7-16(18)20/h3-14,30H,1-2H3,(H,29,31)/b27-14+
    MOLECULAR FORMULA
    C25H20ClN3O4
    CROSS REFERENCES
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    canSAR2017152

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.11
    AlogP 5.04
    HBond donors 2
    HBond acceptors 7
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017152.