General Information of the Compound
| Compound ID |
CP0506028
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| Compound Name |
2-(6-(4-(N,N-dimethylsulfamoyl)benzyl)-5-methyl-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
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| Structure |
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| Formula |
C18H20N2O4S2
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| Molecular Weight |
392.502
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
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| InChI |
InChI=1S/C18H20N2O4S2/c1-12-16(10-17(21)22)15-8-9-25-18(15)20(12)11-13-4-6-14(7-5-13)26(23,24)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22)
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| InChIKey |
PBARSYIECLLZHT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound