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canSAR1766627
FEATURES
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NAMES
    SMILES
    O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1O
    InChI
    InChI=1S/C17H10BrN3O4S2/c18-12-3-1-2-10(6-12)7-15-16(23)20(17(26)27-15)19-9-11-8-13(21(24)25)4-5-14(11)22/h1-9,22H/b15-7-,19-9+
    MOLECULAR FORMULA
    C17H10BrN3O4S2
    CROSS REFERENCES
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    canSAR1766627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.93
    AlogP 4.30
    HBond donors 1
    HBond acceptors 7
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1766627.