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canSAR1126765
FEATURES
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NAMES
    SMILES
    COc1ccc(OC)c(/C=C/C(=O)/C=C/c2ccc(Oc3ncnc4ccccc34)cc2)c1
    InChI
    InChI=1S/C27H22N2O4/c1-31-23-15-16-26(32-2)20(17-23)10-12-21(30)11-7-19-8-13-22(14-9-19)33-27-24-5-3-4-6-25(24)28-18-29-27/h3-18H,1-2H3/b11-7+,12-10+
    MOLECULAR FORMULA
    C27H22N2O4
    CROSS REFERENCES
    1126765 logo

    canSAR1126765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.16
    AlogP 5.74
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126765.