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canSAR1499315
FEATURES
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NAMES
    SMILES
    CCN(CC)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)c(C)c1
    InChI
    InChI=1S/C29H35FN4O4S/c1-5-33(6-2)24-12-13-26(20(3)19-24)31-29(35)23-15-17-34(18-16-23)39(36,37)28-21(4)32-38-27(28)14-11-22-9-7-8-10-25(22)30/h7-14,19,23H,5-6,15-18H2,1-4H3,(H,31,35)/b14-11+
    MOLECULAR FORMULA
    C29H35FN4O4S
    CROSS REFERENCES
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    canSAR1499315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.24
    AlogP 5.49
    HBond donors 1
    HBond acceptors 8
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1499315.