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canSAR786376
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)OC(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C40H49BrN6O10S/c1-8-21-17-40(21,35(50)51)46-33(48)27-15-23(18-47(27)34(49)32(39(4,5)6)44-37(52)57-22-11-9-10-12-22)56-29-16-25(42-31-24(29)13-14-28(54-7)30(31)41)26-19-58-36(43-26)45-38(53)55-20(2)3/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,52)(H,46,48)(H,50,51)(H,43,45,53)/t21-,23-,27+,32-,40-/m1/s1
    MOLECULAR FORMULA
    C40H49BrN6O10S
    CROSS REFERENCES
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    canSAR786376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 884.24
    AlogP 6.66
    HBond donors 4
    HBond acceptors 16
    Atoms 107
    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 canSAR786376.