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canSAR112612
FEATURES
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NAMES
    SMILES
    CCCCOc1ccc(S(=O)(=O)Nc2cccc(C(c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1
    InChI
    InChI=1S/C31H37NO6S/c1-2-3-19-37-24-15-17-25(18-16-24)39(35,36)32-23-10-8-9-22(20-23)28(21-13-14-21)29-30(33)26-11-6-4-5-7-12-27(26)38-31(29)34/h8-10,15-18,20-21,28,32-33H,2-7,11-14,19H2,1H3
    MOLECULAR FORMULA
    C31H37NO6S
    CROSS REFERENCES
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    canSAR112612

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.23
    AlogP 6.53
    HBond donors 2
    HBond acceptors 7
    Atoms 76
    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 canSAR112612.