canSAR1846282
FEATURES
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NAMES
    SMILES
    COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC
    InChI
    InChI=1S/C21H23ClN4O4S/c1-28-17-8-3-14(11-18(17)29-2)9-10-23-19(27)13-31-21-26-25-20(30-21)12-24-16-6-4-15(22)5-7-16/h3-8,11,24H,9-10,12-13H2,1-2H3,(H,23,27)
    MOLECULAR FORMULA
    C21H23ClN4O4S
    CROSS REFERENCES
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    canSAR1846282
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.11
    AlogP3.80
    HBond donors2
    HBond acceptors8
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846282.