canSAR1631991
FEATURES
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NAMES
    SMILES
    COc1cc(OC)cc(C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)c1
    InChI
    InChI=1S/C20H21N3O5S/c1-25-14-9-13(10-15(11-14)26-2)19(24)21-20-23-22-18(29-20)8-12-5-6-16(27-3)17(7-12)28-4/h5-7,9-11H,8H2,1-4H3,(H,21,23,24)
    MOLECULAR FORMULA
    C20H21N3O5S
    CROSS REFERENCES
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    canSAR1631991
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight415.12
    AlogP3.42
    HBond donors1
    HBond acceptors8
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631991.