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canSAR1765616
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NAMES
    SMILES
    CNc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1.Cl
    InChI
    InChI=1S/C21H20N4O2S.ClH/c1-22-16-11-12-18-20(13-16)24-19-6-4-3-5-17(19)21(18)23-14-7-9-15(10-8-14)25-28(2,26)27;/h3-13,22,25H,1-2H3,(H,23,24);1H
    MOLECULAR FORMULA
    C21H21ClN4O2S
    CROSS REFERENCES
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    canSAR1765616

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.11
    AlogP 4.97
    HBond donors 3
    HBond acceptors 6
    Atoms 50
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1765616.