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canSAR1523882
FEATURES
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NAMES
    SMILES
    C[C@H](Oc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C(=O)C3(c4ncc(Cl)cc4F)CCN3C(=O)OC(C)(C)C)C2)c(Cl)c1)C(F)(F)F
    InChI
    InChI=1S/C32H33Cl2F4N5O7S/c1-17(32(36,37)38)49-19-5-6-24(21(34)12-19)51(47,48)20-13-23(26(44)41-30(16-39)7-8-30)42(15-20)27(45)31(25-22(35)11-18(33)14-40-25)9-10-43(31)28(46)50-29(2,3)4/h5-6,11-12,14,17,20,23H,7-10,13,15H2,1-4H3,(H,41,44)/t17-,20+,23-,31?/m0/s1
    MOLECULAR FORMULA
    C32H33Cl2F4N5O7S
    CROSS REFERENCES
    1523882 logo

    canSAR1523882

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 777.14
    AlogP 5.31
    HBond donors 1
    HBond acceptors 12
    Atoms 84
    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 canSAR1523882.