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canSAR1144159
FEATURES
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NAMES
    SMILES
    CCOc1cc(C(Nc2ccc3cnccc3c2)C(=O)NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C
    InChI
    InChI=1S/C28H30N4O7S2/c1-4-38-26-16-20(6-12-25(26)39-18(2)3)27(31-22-7-5-21-17-30-14-13-19(21)15-22)28(33)32-41(36,37)24-10-8-23(9-11-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)
    MOLECULAR FORMULA
    C28H30N4O7S2
    CROSS REFERENCES
    1144159 logo

    canSAR1144159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.16
    AlogP 3.73
    HBond donors 4
    HBond acceptors 11
    Atoms 71
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1144159.