General Information of the Compound
| Compound ID |
CP0489872
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| Compound Name |
N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-2-ethoxyacetamide
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| Structure |
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| Formula |
C23H23Cl2N3O3
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| Molecular Weight |
460.361
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| Canonical SMILES |
CCOCC(=O)NC1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O3/c1-2-30-14-20(29)26-18-7-5-13-31-23-21(18)27-28(19-8-4-3-6-17(19)25)22(23)15-9-11-16(24)12-10-15/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,26,29)
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| InChIKey |
AAAPQZDYNWUVQA-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