General Information of the Compound
| Compound ID |
CP0382149
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| Compound Name |
(4-chlorophenyl)-[4-(3,5-dichlorophenyl)-3-hydroxy-5-methoxyphenyl]methanone
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| Structure |
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| Formula |
C20H13Cl3O3
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| Molecular Weight |
407.68
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| Canonical SMILES |
COc1cc(cc(O)c1-c1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H13Cl3O3/c1-26-18-9-13(20(25)11-2-4-14(21)5-3-11)8-17(24)19(18)12-6-15(22)10-16(23)7-12/h2-10,24H,1H3
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| InChIKey |
TVDQBXVJUFSQLL-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