canSAR948072
FEATURES
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NAMES
    SMILES
    C[N+](C)(C)CCCC[C@@H]1NC(=O)N([C@@H](Cc2c(Sc3ncccc3[N+](=O)[O-])[nH]c3ccccc23)C(N)=O)C1=O
    InChI
    InChI=1S/C26H31N7O5S/c1-33(2,3)14-7-6-11-19-25(35)31(26(36)30-19)21(22(27)34)15-17-16-9-4-5-10-18(16)29-23(17)39-24-20(32(37)38)12-8-13-28-24/h4-5,8-10,12-13,19,21,29H,6-7,11,14-15H2,1-3H3,(H2-,27,30,34,36)/p+1/t19-,21-/m0/s1
    MOLECULAR FORMULA
    C26H32N7O5S+
    CROSS REFERENCES
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    canSAR948072
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight554.22
    AlogP2.82
    HBond donors4
    HBond acceptors12
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948072.