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canSAR655948
FEATURES
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NAMES
    SMILES
    CO[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)CS(C)(=O)=O)c1)C(=O)Nc1ccc(F)cc1
    InChI
    InChI=1S/C38H41F3N4O8S/c1-23(24-8-6-5-7-9-24)42-36(47)25-14-26(16-31(15-25)45(2)22-54(4,50)51)37(48)44-33(21-53-32-18-28(40)17-29(41)19-32)34(46)20-35(52-3)38(49)43-30-12-10-27(39)11-13-30/h5-19,23,33-35,46H,20-22H2,1-4H3,(H,42,47)(H,43,49)(H,44,48)/t23-,33+,34+,35-/m1/s1
    MOLECULAR FORMULA
    C38H41F3N4O8S
    CROSS REFERENCES
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    canSAR655948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 770.26
    AlogP 4.62
    HBond donors 4
    HBond acceptors 12
    Atoms 95
    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 canSAR655948.