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canSAR149430
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NAMES
    SMILES
    O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
    InChI
    InChI=1S/C39H33Cl3N2O4S/c40-30-21-22-35-32(25-30)31(14-7-9-26-17-19-29(20-18-26)39(45)46)36(23-24-43-49(47,48)38-33(41)15-8-16-34(38)42)44(35)37(27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-6,8,10-13,15-22,25,37,43H,7,9,14,23-24H2,(H,45,46)
    MOLECULAR FORMULA
    C39H33Cl3N2O4S
    CROSS REFERENCES
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    canSAR149430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 730.12
    AlogP 9.63
    HBond donors 2
    HBond acceptors 6
    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 canSAR149430.