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canSAR1130633
FEATURES
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NAMES
    SMILES
    COC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(C3CCCCC3)cc2)c2ccc(C(=O)O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1
    InChI
    InChI=1S/C38H40N2O8S/c1-26-8-19-33(20-9-26)49(46,47)39(23-27-12-16-31(17-13-27)38(45)48-2)25-36(42)40(32-18-21-34(37(43)44)35(41)22-32)24-28-10-14-30(15-11-28)29-6-4-3-5-7-29/h8-22,29,41H,3-7,23-25H2,1-2H3,(H,43,44)
    MOLECULAR FORMULA
    C38H40N2O8S
    CROSS REFERENCES
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    canSAR1130633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 684.25
    AlogP 6.66
    HBond donors 2
    HBond acceptors 10
    Atoms 89
    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 canSAR1130633.