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canSAR502036
FEATURES
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NAMES
    SMILES
    Cc1ccccc1S(=O)(=O)NC(=O)OC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C26H26FN5O8S2/c1-17-4-2-3-5-22(17)42(37,38)28-25(33)39-16-19-15-31(26(34)40-19)18-6-7-21(20(27)14-18)29-10-12-30(13-11-29)23-8-9-24(41-23)32(35)36/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,33)/t19-/m1/s1
    MOLECULAR FORMULA
    C26H26FN5O8S2
    CROSS REFERENCES
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    canSAR502036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 619.12
    AlogP 3.87
    HBond donors 1
    HBond acceptors 13
    Atoms 68
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR502036.