canSAR2059648
FEATURES
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NAMES
    SMILES
    c1cncc(CCNc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1
    InChI
    InChI=1S/C21H17N5S/c1-2-6-18-16(5-1)12-19(27-18)17-14-24-21-8-7-20(25-26(17)21)23-11-9-15-4-3-10-22-13-15/h1-8,10,12-14H,9,11H2,(H,23,25)
    MOLECULAR FORMULA
    C21H17N5S
    CROSS REFERENCES
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    canSAR2059648
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight371.12
    AlogP4.66
    HBond donors1
    HBond acceptors5
    Atoms44
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059648.