General Information of the Compound
| Compound ID |
CP0439886
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| Compound Name |
N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]acetamide
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| Structure |
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| Formula |
C21H19Cl2N3O2
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| Molecular Weight |
416.308
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| Canonical SMILES |
CC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H19Cl2N3O2/c1-13(27)24-17-6-4-12-28-21-19(17)25-26(18-7-3-2-5-16(18)23)20(21)14-8-10-15(22)11-9-14/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,24,27)
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| InChIKey |
DZFJCOBMNWBMOF-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