canSAR1932350
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2cc(C=C3C(=O)N(C(N)=S)N=C3N)n(-c3ccccc3)n2)cc1
    InChI
    InChI=1S/C21H18N6O2S/c1-29-16-9-7-13(8-10-16)18-12-15(26(24-18)14-5-3-2-4-6-14)11-17-19(22)25-27(20(17)28)21(23)30/h2-12H,1H3,(H2,22,25)(H2,23,30)
    MOLECULAR FORMULA
    C21H18N6O2S
    CROSS REFERENCES
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    canSAR1932350
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.12
    AlogP2.29
    HBond donors4
    HBond acceptors8
    Atoms48
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932350.