canSAR1846683
FEATURES
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NAMES
    SMILES
    Nc1ncc(C=CC(=O)NCCCn2ccnc2)c2scc(-c3ccc(Br)cc3)c12
    InChI
    InChI=1S/C22H20BrN5OS/c23-17-5-2-15(3-6-17)18-13-30-21-16(12-27-22(24)20(18)21)4-7-19(29)26-8-1-10-28-11-9-25-14-28/h2-7,9,11-14H,1,8,10H2,(H2,24,27)(H,26,29)
    MOLECULAR FORMULA
    C22H20BrN5OS
    CROSS REFERENCES
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    canSAR1846683
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight481.06
    AlogP4.72
    HBond donors3
    HBond acceptors6
    Atoms50
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846683.