General Information of the Compound
| Compound ID |
CP0502560
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| Compound Name |
2-(5-methyl-6-(4-(trifluoromethyl)phenylsulfonyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
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| Structure |
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| Formula |
C16H12F3NO4S2
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| Molecular Weight |
403.403
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| Canonical SMILES |
Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H12F3NO4S2/c1-9-13(8-14(21)22)12-6-7-25-15(12)20(9)26(23,24)11-4-2-10(3-5-11)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
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| InChIKey |
CKLMJXBANMHWBR-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