General Information of the Compound
| Compound ID |
CP0432518
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| Compound Name |
N-[(8R)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-2-methylpropanamide
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| Structure |
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| Formula |
C23H23Cl2N3O2
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| Molecular Weight |
444.362
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| Canonical SMILES |
CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1
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| InChIKey |
HMFPHFXYIKOWAW-GOSISDBHSA-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