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canSAR1861066
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NAMES
    SMILES
    CC(=O)NC(=Nc1ccc(C)cc1Cl)Nc1nc(C)cc(C)n1
    InChI
    InChI=1S/C16H18ClN5O/c1-9-5-6-14(13(17)7-9)21-16(20-12(4)23)22-15-18-10(2)8-11(3)19-15/h5-8H,1-4H3,(H2,18,19,20,21,22,23)
    MOLECULAR FORMULA
    C16H18ClN5O
    CROSS REFERENCES
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    canSAR1861066

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.12
    AlogP 3.29
    HBond donors 2
    HBond acceptors 6
    Atoms 41
    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 canSAR1861066.