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canSAR1510091
FEATURES
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NAMES
    SMILES
    CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)CC1
    InChI
    InChI=1S/C29H28ClN3O6S/c1-2-39-29(36)32-15-13-22(14-16-32)31-27(34)20-9-12-26-24(17-20)33(18-19-7-10-21(30)11-8-19)28(35)23-5-3-4-6-25(23)40(26,37)38/h3-12,17,22H,2,13-16,18H2,1H3,(H,31,34)
    MOLECULAR FORMULA
    C29H28ClN3O6S
    CROSS REFERENCES
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    canSAR1510091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 581.14
    AlogP 4.68
    HBond donors 1
    HBond acceptors 9
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1510091.