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canSAR2280274
FEATURES
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NAMES
    SMILES
    C[C@@H]1CC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4cccnc4)nc(-c4nccs4)c3)CN2C(=O)[C@@H](NC(=O)OC2(C(F)(F)F)CCCOC2)[C@H](C)C1
    InChI
    InChI=1S/C44H52F3N7O9S2/c1-26-8-4-5-10-29-22-43(29,39(57)53-65(59,60)41(3)12-13-41)52-36(55)34-21-31(62-30-19-32(28-9-6-14-48-23-28)50-33(20-30)37-49-15-17-64-37)24-54(34)38(56)35(27(2)18-26)51-40(58)63-42(44(45,46)47)11-7-16-61-25-42/h5-6,9-10,14-15,17,19-20,23,26-27,29,31,34-35H,4,7-8,11-13,16,18,21-22,24-25H2,1-3H3,(H,51,58)(H,52,55)(H,53,57)/b10-5-/t26-,27-,29-,31-,34+,35+,42?,43-/m1/s1
    MOLECULAR FORMULA
    C44H52F3N7O9S2
    CROSS REFERENCES
    2280274 logo

    canSAR2280274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 943.32
    AlogP 5.71
    HBond donors 3
    HBond acceptors 16
    Atoms 117
    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 canSAR2280274.