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canSAR1596990
FEATURES
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NAMES
    SMILES
    Cc1cccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S+]([O-])C3)c1
    InChI
    InChI=1S/C20H18ClN3O2S/c1-13-4-2-5-14(8-13)9-19(25)22-20-17-11-27(26)12-18(17)23-24(20)16-7-3-6-15(21)10-16/h2-8,10H,9,11-12H2,1H3,(H,22,25)
    MOLECULAR FORMULA
    C20H18ClN3O2S
    CROSS REFERENCES
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    canSAR1596990

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.08
    AlogP 3.78
    HBond donors 1
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1596990.