General Information of the Compound
| Compound ID |
CP0534345
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| Compound Name |
5,5-dimethyl-4H-benzo[g][1]benzothiole-2-carboxamide
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| Structure |
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| Formula |
C15H15NOS
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| Molecular Weight |
257.358
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| Canonical SMILES |
CC1(C)Cc2cc(sc2-c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C15H15NOS/c1-15(2)8-9-7-12(14(16)17)18-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3,(H2,16,17)
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| InChIKey |
XFKCJCGZYAGWRB-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