General Information of the Compound
| Compound ID |
CP0472651
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| Compound Name |
4-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
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| Structure |
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| Formula |
C14H13NOS
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| Molecular Weight |
243.331
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| Canonical SMILES |
CC1Cc2ccccc2-c2sc(cc12)C(N)=O
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| InChI |
InChI=1S/C14H13NOS/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12(17-13)14(15)16/h2-5,7-8H,6H2,1H3,(H2,15,16)
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| InChIKey |
IWQXLXJTCANGKX-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