General Information of the Compound
| Compound ID |
CP0406188
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| Compound Name |
3-thiatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-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 |
NC(=O)c1cc2CCCc3ccccc3-c2s1
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| InChI |
InChI=1S/C14H13NOS/c15-14(16)12-8-10-6-3-5-9-4-1-2-7-11(9)13(10)17-12/h1-2,4,7-8H,3,5-6H2,(H2,15,16)
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| InChIKey |
ZOESZYPPGSJSKL-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