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canSAR2050400
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NAMES
    SMILES
    CCc1c(C)[nH]c2c(-c3cnn(-c4cc(CO)ccn4)c3)cnn2c1=O
    InChI
    InChI=1S/C18H18N6O2/c1-3-14-11(2)22-17-15(8-21-24(17)18(14)26)13-7-20-23(9-13)16-6-12(10-25)4-5-19-16/h4-9,22,25H,3,10H2,1-2H3
    MOLECULAR FORMULA
    C18H18N6O2
    CROSS REFERENCES
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    canSAR2050400

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 350.15
    AlogP 1.63
    HBond donors 2
    HBond acceptors 8
    Atoms 44
    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 canSAR2050400.