General Information of the Compound
| Compound ID |
CP0522568
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| Compound Name |
2-(5-methyl-6-(4-(pyrrolidin-1-ylsulfonyl)phenylsulfonyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
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| Structure |
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| Formula |
C19H20N2O6S3
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| Molecular Weight |
468.578
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
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| InChI |
InChI=1S/C19H20N2O6S3/c1-13-17(12-18(22)23)16-8-11-28-19(16)21(13)30(26,27)15-6-4-14(5-7-15)29(24,25)20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)
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| InChIKey |
AZQJMMQCPYTEGS-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