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canSAR1125318
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2O)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
    InChI
    InChI=1S/C37H30N2O7/c1-45-35-20-24(14-18-33(35)43)12-16-31(41)29(32(42)17-13-25-15-19-34(44)36(21-25)46-2)22-26-23-39(27-8-4-3-5-9-27)38-37(26)28-10-6-7-11-30(28)40/h3-23,40,43-44H,1-2H3/b16-12+,17-13+
    MOLECULAR FORMULA
    C37H30N2O7
    CROSS REFERENCES
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    canSAR1125318

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.21
    AlogP 6.62
    HBond donors 3
    HBond acceptors 9
    Atoms 76
    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 canSAR1125318.