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canSAR837544
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NAMES
    SMILES
    CNc1ncnc2c(CNc3cc(NC(=O)c4ccncc4Cl)ccc3C)cccc12
    InChI
    InChI=1S/C23H21ClN6O/c1-14-6-7-16(30-23(31)17-8-9-26-12-19(17)24)10-20(14)27-11-15-4-3-5-18-21(15)28-13-29-22(18)25-2/h3-10,12-13,27H,11H2,1-2H3,(H,30,31)(H,25,28,29)
    MOLECULAR FORMULA
    C23H21ClN6O
    CROSS REFERENCES
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    canSAR837544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.15
    AlogP 4.89
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR837544.