General Information of the Compound
| Compound ID |
CP0459964
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| Compound Name |
7-chloro-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
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| Structure |
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| Formula |
C12H6ClFO3S
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| Molecular Weight |
284.695
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| Canonical SMILES |
OC(=O)c1cc2COc3cc(Cl)c(F)cc3-c2s1
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| InChI |
InChI=1S/C12H6ClFO3S/c13-7-3-9-6(2-8(7)14)11-5(4-17-9)1-10(18-11)12(15)16/h1-3H,4H2,(H,15,16)
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| InChIKey |
MHQBIPFRACKVRG-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