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canSAR1834979
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NAMES
    SMILES
    Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/C3CCCCC3)cc2)n1
    InChI
    InChI=1S/C21H26N4OS/c1-15-12-16(2)24-21(23-15)27-14-18-8-10-19(11-9-18)20(26)25-22-13-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,25,26)/b22-13+
    MOLECULAR FORMULA
    C21H26N4OS
    CROSS REFERENCES
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    canSAR1834979

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.18
    AlogP 4.68
    HBond donors 1
    HBond acceptors 5
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834979.