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canSAR559648
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NAMES
    SMILES
    Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1.[Cl-]
    InChI
    InChI=1S/C26H28F3N2S.ClH/c1-19-9-11-20(12-10-19)18-31(2,3)16-6-15-30-22-7-4-5-8-24(22)32-25-14-13-21(17-23(25)30)26(27,28)29;/h4-5,7-14,17H,6,15-16,18H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C26H28ClF3N2S
    CROSS REFERENCES
    559648 logo

    canSAR559648

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 492.16
    AlogP 4.29
    HBond donors 0
    HBond acceptors 2
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR559648.