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canSAR1123001
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NAMES
    SMILES
    COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccc(C#N)cc3)nn2)c1
    InChI
    InChI=1S/C31H25N5O4/c1-21-5-3-4-6-28(21)36-18-24(11-14-30(36)37)31(38)27-13-12-26(39-2)15-29(27)40-20-25-19-35(34-33-25)17-23-9-7-22(16-32)8-10-23/h3-15,18-19H,17,20H2,1-2H3
    MOLECULAR FORMULA
    C31H25N5O4
    CROSS REFERENCES
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    canSAR1123001

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.19
    AlogP 4.48
    HBond donors 0
    HBond acceptors 9
    Atoms 65
    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 canSAR1123001.