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canSAR1067450
FEATURES
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NAMES
    SMILES
    CC1=C([Se]CC(OC(=O)[C@@H](CSSC(C)(C)C)NC(=O)C(C)(C)C)C(=O)NCCCCCC(=O)OCc2ccccc2)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C39H50N2O8S2Se/c1-25-32(43)27-18-13-14-19-28(27)33(44)34(25)52-24-30(49-36(46)29(23-50-51-39(5,6)7)41-37(47)38(2,3)4)35(45)40-21-15-9-12-20-31(42)48-22-26-16-10-8-11-17-26/h8,10-11,13-14,16-19,29-30H,9,12,15,20-24H2,1-7H3,(H,40,45)(H,41,47)/t29-,30?/m1/s1
    MOLECULAR FORMULA
    C39H50N2O8S2Se
    CROSS REFERENCES
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    canSAR1067450

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 818.22
    AlogP 6.50
    HBond donors 2
    HBond acceptors 10
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1067450.