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canSAR99319
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NAMES
    SMILES
    COc1cc(C/N=C(\S)N(O)Cc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O
    InChI
    InChI=1S/C21H29N3O4S2/c1-21(2,3)17-9-6-15(7-10-17)14-24(25)20(29)22-13-16-8-11-18(19(12-16)28-4)23-30(5,26)27/h6-12,23,25H,13-14H2,1-5H3,(H,22,29)
    MOLECULAR FORMULA
    C21H29N3O4S2
    CROSS REFERENCES
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    canSAR99319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.16
    AlogP 4.04
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR99319.