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canSAR1202351
FEATURES
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NAMES
    SMILES
    CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ncc(C(F)C(=O)O)s2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)c(F)c1
    InChI
    InChI=1S/C33H36Cl2F2N2O5S2/c1-32(2,3)46(43,44)17-25(18-8-9-18)39-29(20-10-11-23(35)24(36)13-20)22(19-6-5-7-21(34)12-19)14-33(4,31(39)42)15-27-38-16-26(45-27)28(37)30(40)41/h5-7,10-13,16,18,22,25,28-29H,8-9,14-15,17H2,1-4H3,(H,40,41)/t22-,25-,28?,29-,33-/m1/s1
    MOLECULAR FORMULA
    C33H36Cl2F2N2O5S2
    CROSS REFERENCES
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    canSAR1202351

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 712.14
    AlogP 7.98
    HBond donors 1
    HBond acceptors 7
    Atoms 82
    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 canSAR1202351.