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canSAR1860970
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NAMES
    SMILES
    COc1ncc(-n2nc3c(c2C(C)C)C(c2ccc(C#N)cc2)N(c2c[nH]c(=O)c(Cl)c2)C3=O)c(OC)n1
    InChI
    InChI=1S/C26H22ClN7O4/c1-13(2)21-19-20(32-34(21)18-12-30-26(38-4)31-24(18)37-3)25(36)33(16-9-17(27)23(35)29-11-16)22(19)15-7-5-14(10-28)6-8-15/h5-9,11-13,22H,1-4H3,(H,29,35)
    MOLECULAR FORMULA
    C26H22ClN7O4
    CROSS REFERENCES
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    canSAR1860970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.14
    AlogP 3.77
    HBond donors 1
    HBond acceptors 11
    Atoms 60
    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 canSAR1860970.