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canSAR1146214
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)c2ccccc2)cc1
    InChI
    InChI=1S/C38H35N3O5S/c1-3-46-37(42)38(31-15-9-5-10-16-31)35(29-19-23-32(24-20-29)40-47(43,44)34-17-11-6-12-18-34)41(27-28-13-7-4-8-14-28)36(39-38)30-21-25-33(45-2)26-22-30/h4-26,35,40H,3,27H2,1-2H3/t35-,38-/m1/s1
    MOLECULAR FORMULA
    C38H35N3O5S
    CROSS REFERENCES
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    canSAR1146214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.23
    AlogP 6.96
    HBond donors 1
    HBond acceptors 8
    Atoms 82
    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 canSAR1146214.