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canSAR745101
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NAMES
    SMILES
    Nc1ccc(NC(=O)Nc2ccc(N=C3NCCN3)cc2)cc1
    InChI
    InChI=1S/C16H18N6O/c17-11-1-3-13(4-2-11)21-16(23)22-14-7-5-12(6-8-14)20-15-18-9-10-19-15/h1-8H,9-10,17H2,(H2,18,19,20)(H2,21,22,23)
    MOLECULAR FORMULA
    C16H18N6O
    CROSS REFERENCES
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    canSAR745101

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 310.15
    AlogP 2.09
    HBond donors 6
    HBond acceptors 7
    Atoms 41
    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 canSAR745101.