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canSAR1442840
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NAMES
    SMILES
    COc1cc(CNc2nc[nH]n2)ccc1OCc1ccccc1C
    InChI
    InChI=1S/C18H20N4O2/c1-13-5-3-4-6-15(13)11-24-16-8-7-14(9-17(16)23-2)10-19-18-20-12-21-22-18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,22)
    MOLECULAR FORMULA
    C18H20N4O2
    CROSS REFERENCES
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    canSAR1442840

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.16
    AlogP 3.31
    HBond donors 2
    HBond acceptors 6
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442840.