canSAR1810022
FEATURES
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NAMES
    SMILES
    Oc1c(C(c2ccc(Br)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C19H17BrN4O3S/c20-13-5-3-12(4-6-13)15(23-7-10-26-11-8-23)16-18(25)24-19(28-16)21-17(22-24)14-2-1-9-27-14/h1-6,9,15,25H,7-8,10-11H2
    MOLECULAR FORMULA
    C19H17BrN4O3S
    CROSS REFERENCES
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    canSAR1810022
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight460.02
    AlogP3.94
    HBond donors1
    HBond acceptors7
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810022.