General Information of the Compound
| Compound ID |
CP0516568
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| Compound Name |
2-(5-methyl-6-(4-(morpholinosulfonyl)phenylsulfonyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
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| Structure |
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| Formula |
C19H20N2O7S3
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| Molecular Weight |
484.577
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C19H20N2O7S3/c1-13-17(12-18(22)23)16-6-11-29-19(16)21(13)31(26,27)15-4-2-14(3-5-15)30(24,25)20-7-9-28-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,22,23)
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| InChIKey |
PQXZNCVQHPQOBD-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