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canSAR558801
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NAMES
    SMILES
    Cc1c(NC2=NCCN2)cccc1-c1cccc(C#N)c1.Cl
    InChI
    InChI=1S/C17H16N4.ClH/c1-12-15(14-5-2-4-13(10-14)11-18)6-3-7-16(12)21-17-19-8-9-20-17;/h2-7,10H,8-9H2,1H3,(H2,19,20,21);1H
    MOLECULAR FORMULA
    C17H17ClN4
    CROSS REFERENCES
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    canSAR558801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.11
    AlogP 3.33
    HBond donors 2
    HBond acceptors 4
    Atoms 39
    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 canSAR558801.