General Information of the Compound
| Compound ID |
CP0412939
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| Compound Name |
[4-(1-benzothiophen-5-yl)phenyl] benzenesulfonate
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| Structure |
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| Formula |
C20H14O3S2
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| Molecular Weight |
366.463
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| Canonical SMILES |
O=S(=O)(Oc1ccc(cc1)-c1ccc2sccc2c1)c1ccccc1
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| InChI |
InChI=1S/C20H14O3S2/c21-25(22,19-4-2-1-3-5-19)23-18-9-6-15(7-10-18)16-8-11-20-17(14-16)12-13-24-20/h1-14H
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| InChIKey |
QTKBERKHOGSNQG-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
Protein ID: PT00841, Carbonic anhydrase 12
Protein ID: PT00836, Carbonic anhydrase 2