canSAR2256652
FEATURES
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NAMES
    SMILES
    O=C(CCCCCNC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)NCCCCCNC(=O)c1ccc(/C=C2\SC(=S)NC2=O)cc1
    InChI
    InChI=1S/C35H36N8O7S2/c44-29(36-18-5-2-6-20-38-32(45)23-10-8-22(9-11-23)21-28-34(47)40-35(51)52-28)7-3-1-4-19-37-33(46)24-12-14-25(15-13-24)39-26-16-17-27(43(48)49)31-30(26)41-50-42-31/h8-17,21,39H,1-7,18-20H2,(H,36,44)(H,37,46)(H,38,45)(H,40,47,51)/b28-21-
    MOLECULAR FORMULA
    C35H36N8O7S2
    CROSS REFERENCES
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    canSAR2256652
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight744.21
    AlogP5.37
    HBond donors5
    HBond acceptors15
    Atoms88
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2256652.