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canSAR1511846
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NAMES
    SMILES
    CN1c2ccc(Br)cc2Sc2cc(C(=O)c3ccc(N=[N+]=[N-])cc3)ccc21
    InChI
    InChI=1S/C20H13BrN4OS/c1-25-16-8-4-13(20(26)12-2-6-15(7-3-12)23-24-22)10-18(16)27-19-11-14(21)5-9-17(19)25/h2-11H,1H3
    MOLECULAR FORMULA
    C20H13BrN4OS
    CROSS REFERENCES
    1511846 logo

    canSAR1511846

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.00
    AlogP 6.85
    HBond donors 0
    HBond acceptors 5
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1511846.