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canSAR168875
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NAMES
    SMILES
    COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cn1cc(CC(C)C(=O)N(C)C)c2ccc(C(=O)NCC3CCCC3)cc21
    InChI
    InChI=1S/C37H44N4O6S/c1-24-10-6-9-13-34(24)48(45,46)39-36(43)28-14-15-29(33(20-28)47-5)22-41-23-30(18-25(2)37(44)40(3)4)31-17-16-27(19-32(31)41)35(42)38-21-26-11-7-8-12-26/h6,9-10,13-17,19-20,23,25-26H,7-8,11-12,18,21-22H2,1-5H3,(H,38,42)(H,39,43)
    MOLECULAR FORMULA
    C37H44N4O6S
    CROSS REFERENCES
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    canSAR168875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.30
    AlogP 5.31
    HBond donors 2
    HBond acceptors 10
    Atoms 92
    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 canSAR168875.