canSAR1705750
FEATURES
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NAMES
    SMILES
    O=C(CSc1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C18H17Cl2N3O3S/c19-13-1-4-15(5-2-13)27-12-18(24)22-9-7-21(8-10-22)16-6-3-14(20)11-17(16)23(25)26/h1-6,11H,7-10,12H2
    MOLECULAR FORMULA
    C18H17Cl2N3O3S
    CROSS REFERENCES
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    canSAR1705750
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.04
    AlogP4.34
    HBond donors0
    HBond acceptors6
    Atoms44
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1705750.