canSAR1932524
FEATURES
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NAMES
    SMILES
    COc1ccccc1/C=C/C=Nn1c(S)nnc1-c1cc(-c2ccccc2)[nH]n1
    InChI
    InChI=1S/C21H18N6OS/c1-28-19-12-6-5-10-16(19)11-7-13-22-27-20(25-26-21(27)29)18-14-17(23-24-18)15-8-3-2-4-9-15/h2-14H,1H3,(H,23,24)(H,26,29)/b11-7+,22-13?
    MOLECULAR FORMULA
    C21H18N6OS
    CROSS REFERENCES
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    canSAR1932524
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight402.13
    AlogP4.18
    HBond donors1
    HBond acceptors7
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932524.