canSAR291007
FEATURES
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NAMES
    SMILES
    CC(C)(C)/[N+]([O-])=C/c1ccc(CNC(=O)CC(NC(=O)[C@H](O)[C@H](O)[C@@H](C[C@H](O)CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
    InChI
    InChI=1S/C37H49F13N4O14/c1-31(2,3)54(66)13-17-6-4-16(5-7-17)12-52-22(58)11-19(28(64)51-9-8-32(38,39)33(40,41)34(42,43)35(44,45)36(46,47)37(48,49)50)53-29(65)26(62)23(59)20(10-18(57)14-55)67-30-27(63)25(61)24(60)21(15-56)68-30/h4-7,13,18-21,23-27,30,55-57,59-63H,8-12,14-15H2,1-3H3,(H,51,64)(H,52,58)(H,53,65)/b54-13-/t18-,19?,20+,21+,23+,24-,25-,26+,27+,30+/m0/s1
    MOLECULAR FORMULA
    C37H49F13N4O14
    CROSS REFERENCES
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    canSAR291007
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1020.30
    AlogP-0.20
    HBond donors11
    HBond acceptors18
    Atoms117
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR291007.