canSAR2065229
FEATURES
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NAMES
    SMILES
    CN1CCC(C)(C)c2cc3c(cc21)[Se]c1cc2c(cc1=C3c1ccc(C(=S)N3CCCCC3)s1)C(C)(C)CC[N+]=2C.[Cl-]
    InChI
    InChI=1S/C35H42N3S2Se.ClH/c1-34(2)12-16-36(5)26-20-30-22(18-24(26)34)32(28-10-11-29(40-28)33(39)38-14-8-7-9-15-38)23-19-25-27(21-31(23)41-30)37(6)17-13-35(25,3)4;/h10-11,18-21H,7-9,12-17H2,1-6H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C35H42ClN3S2Se
    CROSS REFERENCES
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    canSAR2065229
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight683.17
    AlogP1.05
    HBond donors0
    HBond acceptors3
    Atoms84
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2065229.