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canSAR106574
FEATURES
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NAMES
    SMILES
    COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(\C)C2
    InChI
    InChI=1S/C39H56ClN3O10S2/c1-22-13-12-14-29(50-10)39(48)21-28(51-36(47)41-39)23(2)34-38(6,53-34)30(20-32(45)43(8)26-18-25(17-22)19-27(49-9)33(26)40)52-35(46)24(3)42(7)31(44)15-16-37(4,5)55-54-11/h12-14,18-19,23-24,28-30,34,48H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12+,22-13+/t23?,24-,28?,29?,30?,34?,38?,39?/m1/s1
    MOLECULAR FORMULA
    C39H56ClN3O10S2
    CROSS REFERENCES
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    canSAR106574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 825.31
    AlogP 6.08
    HBond donors 2
    HBond acceptors 13
    Atoms 111
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR106574.