canSAR1387471
FEATURES
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NAMES
    SMILES
    O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
    InChI
    InChI=1S/C26H30N2O2S2/c29-25(26(30,23-10-5-17-31-23)24-11-6-18-32-24)27-22-19-28(15-12-21(22)13-16-28)14-4-9-20-7-2-1-3-8-20/h1-3,5-8,10-11,17-18,21-22,30H,4,9,12-16,19H2/p+1/t21?,22-,28?/m0/s1
    MOLECULAR FORMULA
    C26H31N2O2S2+
    CROSS REFERENCES
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    canSAR1387471
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight467.18
    AlogP4.40
    HBond donors2
    HBond acceptors4
    Atoms63
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387471.