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canSAR1153846
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(NC(=O)CCl)=C(C#N)C2c1ccc(F)cc1
    InChI
    InChI=1S/C26H24ClFN4O4S/c1-26(2)11-20-24(21(33)12-26)23(15-3-5-16(28)6-4-15)19(14-29)25(31-22(34)13-27)32(20)17-7-9-18(10-8-17)37(30,35)36/h3-10,23H,11-13H2,1-2H3,(H,31,34)(H2,30,35,36)
    MOLECULAR FORMULA
    C26H24ClFN4O4S
    CROSS REFERENCES
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    canSAR1153846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.12
    AlogP 3.81
    HBond donors 3
    HBond acceptors 8
    Atoms 61
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1153846.