canSAR722506
FEATURES
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NAMES
    SMILES
    CNCC(=O)OCn1cc(CCNc2ncnc3ccsc23)s/c1=N\C(=O)Nc1cccc(Cl)c1
    InChI
    InChI=1S/C22H22ClN7O3S2/c1-24-10-18(31)33-13-30-11-16(5-7-25-20-19-17(6-8-34-19)26-12-27-20)35-22(30)29-21(32)28-15-4-2-3-14(23)9-15/h2-4,6,8-9,11-12,24H,5,7,10,13H2,1H3,(H,28,32)(H,25,26,27)/b29-22-
    MOLECULAR FORMULA
    C22H22ClN7O3S2
    CROSS REFERENCES
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    canSAR722506
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight531.09
    AlogP3.72
    HBond donors3
    HBond acceptors10
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR722506.