canSAR740542
FEATURES
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NAMES
    SMILES
    CC(C)CC[C@H](c1cnc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1.[Na+]
    InChI
    InChI=1S/C25H29F6N3O2.Na/c1-15(2)3-8-20(19-13-33-22(14-32-19)25(29,30)31)34-10-9-16(12-23(35)36)11-21(34)17-4-6-18(7-5-17)24(26,27)28;/h4-7,13-16,20-21H,3,8-12H2,1-2H3,(H,35,36);/q;+1/p-1/t16-,20-,21+;/m1./s1
    MOLECULAR FORMULA
    C25H28F6N3NaO2
    CROSS REFERENCES
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    canSAR740542
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight539.20
    AlogP2.59
    HBond donors0
    HBond acceptors5
    Atoms65
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740542.