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canSAR672030
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NAMES
    SMILES
    CCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC)cc2)cc1
    InChI
    InChI=1S/C29H29NO5S/c1-4-5-20-6-8-22(9-7-20)29-28(21-10-12-23(33-3)13-11-21)30-26(36-29)17-34-24-14-15-25(19(2)16-24)35-18-27(31)32/h6-16H,4-5,17-18H2,1-3H3,(H,31,32)
    MOLECULAR FORMULA
    C29H29NO5S
    CROSS REFERENCES
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    canSAR672030

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.18
    AlogP 6.79
    HBond donors 1
    HBond acceptors 6
    Atoms 65
    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 canSAR672030.