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canSAR112762
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NAMES
    SMILES
    CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(=O)c2ccccc2)c(C)n1
    InChI
    InChI=1S/C29H25N5O2/c1-3-23-17-26(27(19(2)30-23)28(35)22-9-5-4-6-10-22)36-18-20-13-15-21(16-14-20)24-11-7-8-12-25(24)29-31-33-34-32-29/h4-17H,3,18H2,1-2H3,(H,31,32,33,34)
    MOLECULAR FORMULA
    C29H25N5O2
    CROSS REFERENCES
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    canSAR112762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.20
    AlogP 5.61
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112762.