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canSAR1268670
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NAMES
    SMILES
    CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(N(C)C)ccc3[nH]2)cc1
    InChI
    InChI=1S/C22H25N5/c1-5-27(6-2)18-9-7-16(8-10-18)13-17(15-23)22-24-20-12-11-19(26(3)4)14-21(20)25-22/h7-14H,5-6H2,1-4H3,(H,24,25)/b17-13+
    MOLECULAR FORMULA
    C22H25N5
    CROSS REFERENCES
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    canSAR1268670

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.21
    AlogP 4.54
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1268670.