canSAR2096427
FEATURES
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NAMES
    SMILES
    CC(C)N(C)[C@@H]1CCN(Cc2nccs2)[C@H]1Cc1ccncc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C18H26N4S.3C2HF3O2/c1-14(2)21(3)16-6-10-22(13-18-20-9-11-23-18)17(16)12-15-4-7-19-8-5-15;3*3-2(4,5)1(6)7/h4-5,7-9,11,14,16-17H,6,10,12-13H2,1-3H3;3*(H,6,7)/t16-,17+;;;/m1.../s1
    MOLECULAR FORMULA
    C24H29F9N4O6S
    CROSS REFERENCES
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    canSAR2096427
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight672.17
    AlogP4.96
    HBond donors3
    HBond acceptors10
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096427.