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canSAR1526864
FEATURES
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NAMES
    SMILES
    Cc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)c1C
    InChI
    InChI=1S/C27H24N4O3/c1-18-7-5-10-24(19(18)2)30-27(33)20(14-28)13-21-16-31(25-11-4-3-9-23(21)25)17-26(32)29-15-22-8-6-12-34-22/h3-13,16H,15,17H2,1-2H3,(H,29,32)(H,30,33)/b20-13+
    MOLECULAR FORMULA
    C27H24N4O3
    CROSS REFERENCES
    1526864 logo

    canSAR1526864

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.18
    AlogP 4.71
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1526864.