General Information of the Compound
| Compound ID |
CP0513055
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| Compound Name |
2-(4-(4-(methylsulfonyl)phenylsulfonyl)-4H-thieno[3,2-b]pyrrol-6-yl)acetic acid
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| Structure |
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| Formula |
C15H13NO6S3
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| Molecular Weight |
399.471
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)S(=O)(=O)n1cc(CC(O)=O)c2sccc12
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| InChI |
InChI=1S/C15H13NO6S3/c1-24(19,20)11-2-4-12(5-3-11)25(21,22)16-9-10(8-14(17)18)15-13(16)6-7-23-15/h2-7,9H,8H2,1H3,(H,17,18)
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| InChIKey |
PCRONBMWHXNCCR-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