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canSAR197867
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NAMES
    SMILES
    O=C(CSc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1
    InChI
    InChI=1S/C25H22ClN3O2S2/c26-19-3-4-21-22(14-19)33-15-18-2-1-9-27-25(18)24(21)17-5-10-28(11-6-17)23(30)16-32-20-7-12-29(31)13-8-20/h1-4,7-9,12-14H,5-6,10-11,15-16H2
    MOLECULAR FORMULA
    C25H22ClN3O2S2
    CROSS REFERENCES
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    canSAR197867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.08
    AlogP 5.19
    HBond donors 0
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR197867.