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canSAR1831537
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NAMES
    SMILES
    CC(=O)NC(C)Cc1ccc(C#Cc2ccnc(N3CCCC(F)C3)n2)cc1
    InChI
    InChI=1S/C22H25FN4O/c1-16(25-17(2)28)14-19-7-5-18(6-8-19)9-10-21-11-12-24-22(26-21)27-13-3-4-20(23)15-27/h5-8,11-12,16,20H,3-4,13-15H2,1-2H3,(H,25,28)
    MOLECULAR FORMULA
    C22H25FN4O
    CROSS REFERENCES
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    canSAR1831537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.20
    AlogP 2.88
    HBond donors 1
    HBond acceptors 5
    Atoms 53
    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 canSAR1831537.