General Information of the Compound
| Compound ID |
CP0414589
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| Compound Name |
6-cyano-7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid
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| Structure |
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| Formula |
C15H11NO3S
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| Molecular Weight |
285.324
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| Canonical SMILES |
COc1ccc2-c3sc(cc3CCc2c1C#N)C(O)=O
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| InChI |
InChI=1S/C15H11NO3S/c1-19-12-5-4-10-9(11(12)7-16)3-2-8-6-13(15(17)18)20-14(8)10/h4-6H,2-3H2,1H3,(H,17,18)
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| InChIKey |
HFLNWKDUCUGXGX-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