General Information of the Compound
| Compound ID |
CP0453395
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| Compound Name |
N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]-N,2-dimethylpropanamide
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| Structure |
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| Formula |
C24H25Cl2N3O2
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| Molecular Weight |
458.389
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| Canonical SMILES |
CC(C)C(=O)N(C)C1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C24H25Cl2N3O2/c1-15(2)24(30)28(3)20-9-6-14-31-23-21(20)27-29(19-8-5-4-7-18(19)26)22(23)16-10-12-17(25)13-11-16/h4-5,7-8,10-13,15,20H,6,9,14H2,1-3H3
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| InChIKey |
BAXLEFIQPNPUNQ-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