General Information of the Compound
| Compound ID |
CP0396513
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| Compound Name |
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoic acid
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| Structure |
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| Formula |
C14H13NO4S2
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| Molecular Weight |
323.395
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2sccc2C1
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| InChI |
InChI=1S/C14H13NO4S2/c16-14(17)10-2-1-3-12(8-10)21(18,19)15-6-4-13-11(9-15)5-7-20-13/h1-3,5,7-8H,4,6,9H2,(H,16,17)
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| InChIKey |
KOKBEXZEABMYFP-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