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canSAR1129957
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NAMES
    SMILES
    CNc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
    InChI
    InChI=1S/C19H16N4O/c1-20-12-6-8-13(9-7-12)22-16-10-11-21-18-17(16)14-4-2-3-5-15(14)19(24)23-18/h2-11,20H,1H3,(H2,21,22,23,24)
    MOLECULAR FORMULA
    C19H16N4O
    CROSS REFERENCES
    1129957 logo

    canSAR1129957

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 316.13
    AlogP 3.86
    HBond donors 3
    HBond acceptors 5
    Atoms 40
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129957.