canSAR1534413
FEATURES
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NAMES
    SMILES
    COc1cc(-c2nn3c(-c4cc(-c5ccccc5)[nH]n4)nnc3s2)cc(OC)c1OC
    InChI
    InChI=1S/C21H18N6O3S/c1-28-16-9-13(10-17(29-2)18(16)30-3)20-26-27-19(24-25-21(27)31-20)15-11-14(22-23-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,22,23)
    MOLECULAR FORMULA
    C21H18N6O3S
    CROSS REFERENCES
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    canSAR1534413
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.12
    AlogP3.94
    HBond donors1
    HBond acceptors9
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1534413.