General Information of the Compound
| Compound ID |
CP0394013
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| Compound Name |
5-(3,5-dimethylpiperidin-1-ylsulfonyl)-3-methyl-N-phenethylbenzofuran-2-carboxamide
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCCc3ccccc3)c(C)c2c1
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| InChI |
InChI=1S/C25H30N2O4S/c1-17-13-18(2)16-27(15-17)32(29,30)21-9-10-23-22(14-21)19(3)24(31-23)25(28)26-12-11-20-7-5-4-6-8-20/h4-10,14,17-18H,11-13,15-16H2,1-3H3,(H,26,28)
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| InChIKey |
KNCQEUTZNNITIW-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2