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canSAR2093364
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NAMES
    SMILES
    CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)CC1
    InChI
    InChI=1S/C21H21ClN8O/c1-14(31)28-8-5-16(6-9-28)30-13-15(10-25-30)26-21-24-11-17(22)20(27-21)18-12-23-19-4-2-3-7-29(18)19/h2-4,7,10-13,16H,5-6,8-9H2,1H3,(H,24,26,27)
    MOLECULAR FORMULA
    C21H21ClN8O
    CROSS REFERENCES
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    canSAR2093364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.15
    AlogP 3.57
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR2093364.