General Information of the Compound
| Compound ID |
CP0462761
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| Compound Name |
6,8-dichloro-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
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| Structure |
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| Formula |
C13H8Cl2O2S
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| Molecular Weight |
299.178
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| Canonical SMILES |
OC(=O)c1cc2CCc3c(Cl)cc(Cl)cc3-c2s1
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| InChI |
InChI=1S/C13H8Cl2O2S/c14-7-4-9-8(10(15)5-7)2-1-6-3-11(13(16)17)18-12(6)9/h3-5H,1-2H2,(H,16,17)
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| InChIKey |
SVCICODJJXVTIW-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: PT06380, Palmitoleoyl-protein carboxylesterase NOTUM
Protein ID: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM