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canSAR657209
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)OCc1ccccc1)C(=O)NCc1ccccc1
    InChI
    InChI=1S/C49H55F2N5O9S/c1-31(2)45(49(61)52-28-33-15-9-6-10-16-33)55-48(60)44(65-29-34-17-11-7-12-18-34)27-43(57)42(30-64-41-25-38(50)24-39(51)26-41)54-47(59)37-21-36(22-40(23-37)56(4)66(5,62)63)46(58)53-32(3)35-19-13-8-14-20-35/h6-26,31-32,42-45,57H,27-30H2,1-5H3,(H,52,61)(H,53,58)(H,54,59)(H,55,60)/t32-,42+,43+,44-,45+/m1/s1
    MOLECULAR FORMULA
    C49H55F2N5O9S
    CROSS REFERENCES
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    canSAR657209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 927.37
    AlogP 5.82
    HBond donors 5
    HBond acceptors 14
    Atoms 121
    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 canSAR657209.