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canSAR1112449
FEATURES
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NAMES
    SMILES
    Cc1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1
    InChI
    InChI=1S/C37H40N2O6S/c1-26-8-12-28(13-9-26)23-38(46(44,45)33-19-10-27(2)11-20-33)25-36(41)39(32-18-21-34(37(42)43)35(40)22-32)24-29-14-16-31(17-15-29)30-6-4-3-5-7-30/h8-22,30,40H,3-7,23-25H2,1-2H3,(H,42,43)
    MOLECULAR FORMULA
    C37H40N2O6S
    CROSS REFERENCES
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    canSAR1112449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 640.26
    AlogP 7.18
    HBond donors 2
    HBond acceptors 8
    Atoms 86
    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 canSAR1112449.