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canSAR2015444
FEATURES
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NAMES
    SMILES
    COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1
    InChI
    InChI=1S/C37H47F3N4O8S/c1-24-21-44(25(2)23-45)35(46)32-20-29(42-53(48,49)31-16-14-30(50-5)15-17-31)13-18-33(32)52-26(3)8-6-7-19-51-34(24)22-43(4)36(47)41-28-11-9-27(10-12-28)37(38,39)40/h9-18,20,24-26,34,42,45H,6-8,19,21-23H2,1-5H3,(H,41,47)/t24-,25+,26+,34-/m0/s1
    MOLECULAR FORMULA
    C37H47F3N4O8S
    CROSS REFERENCES
    2015444 logo

    canSAR2015444

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 764.31
    AlogP 6.47
    HBond donors 3
    HBond acceptors 12
    Atoms 100
    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 canSAR2015444.