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canSAR1151880
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NAMES
    SMILES
    COc1ncccc1NC(c1cccnc1)c1c(C)[nH]c2ccccc12
    InChI
    InChI=1S/C21H20N4O/c1-14-19(16-8-3-4-9-17(16)24-14)20(15-7-5-11-22-13-15)25-18-10-6-12-23-21(18)26-2/h3-13,20,24-25H,1-2H3
    MOLECULAR FORMULA
    C21H20N4O
    CROSS REFERENCES
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    canSAR1151880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.16
    AlogP 4.48
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    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 canSAR1151880.