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canSAR1442251
FEATURES
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NAMES
    SMILES
    COc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccccc2)C(=O)C[C@@H](c2ccccc2F)N3S(=O)(=O)c2ccc(C)cc2)cc1
    InChI
    InChI=1S/C34H33FN2O6S2/c1-23-12-18-27(19-13-23)45(41,42)37-32-20-31(24-14-16-25(43-2)17-15-24)36(44(39,40)26-8-4-3-5-9-26)22-29(32)34(38)21-33(37)28-10-6-7-11-30(28)35/h3-19,29,31-33H,20-22H2,1-2H3/t29-,31+,32+,33+/m1/s1
    MOLECULAR FORMULA
    C34H33FN2O6S2
    CROSS REFERENCES
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    canSAR1442251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 648.18
    AlogP 5.67
    HBond donors 0
    HBond acceptors 8
    Atoms 78
    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 canSAR1442251.