canSAR865417
FEATURES
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NAMES
    SMILES
    COc1ccc([C@H](OC(=O)[C@H](CCSC)NC(=O)OCc2ccccc2)C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)cc1OC
    InChI
    InChI=1S/C41H49N2O10PS3/c1-27(2)39(54(47,52-30-14-18-32(56-6)19-15-30)53-31-16-20-33(57-7)21-17-31)43-38(44)37(29-13-22-35(48-3)36(25-29)49-4)51-40(45)34(23-24-55-5)42-41(46)50-26-28-11-9-8-10-12-28/h8-22,25,27,34,37,39H,23-24,26H2,1-7H3,(H,42,46)(H,43,44)/t34-,37-,39-/m0/s1
    MOLECULAR FORMULA
    C41H49N2O10PS3
    CROSS REFERENCES
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    canSAR865417
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight856.23
    AlogP9.23
    HBond donors2
    HBond acceptors12
    Atoms106
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR865417.