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canSAR101316
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NAMES
    SMILES
    CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
    InChI
    InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,29H,4-6,17-19H2,1-3H3,(H,32,33,34)
    MOLECULAR FORMULA
    C31H35NO5S
    CROSS REFERENCES
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    canSAR101316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.22
    AlogP 7.50
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR101316.