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canSAR388429
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NAMES
    SMILES
    CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC1CC(S(C)(=O)=O)(C3)C2
    InChI
    InChI=1S/C21H28ClNO4S/c1-20(2,27-17-6-4-16(22)5-7-17)19(24)23-18-14-8-13-9-15(18)12-21(10-13,11-14)28(3,25)26/h4-7,13-15,18H,8-12H2,1-3H3,(H,23,24)/t13?,14?,15?,18-,21-
    MOLECULAR FORMULA
    C21H28ClNO4S
    CROSS REFERENCES
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    canSAR388429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.14
    AlogP 3.61
    HBond donors 1
    HBond acceptors 5
    Atoms 56
    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 canSAR388429.