canSAR1809916
FEATURES
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NAMES
    SMILES
    COc1ccc(CC(N)c2csc(Nc3cccc(OC)n3)n2)cc1
    InChI
    InChI=1S/C18H20N4O2S/c1-23-13-8-6-12(7-9-13)10-14(19)15-11-25-18(20-15)22-16-4-3-5-17(21-16)24-2/h3-9,11,14H,10,19H2,1-2H3,(H,20,21,22)
    MOLECULAR FORMULA
    C18H20N4O2S
    CROSS REFERENCES
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    canSAR1809916
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight356.13
    AlogP3.54
    HBond donors3
    HBond acceptors6
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809916.