General Information of the Compound
| Compound ID |
CP0388690
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| Compound Name |
(4-tert-butylphenyl)-[4-(3,5-dichlorophenyl)-3,5-dihydroxyphenyl]methanone
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| Structure |
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| Formula |
C23H20Cl2O3
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| Molecular Weight |
415.316
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)c1cc(O)c(c(O)c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C23H20Cl2O3/c1-23(2,3)16-6-4-13(5-7-16)22(28)15-10-19(26)21(20(27)11-15)14-8-17(24)12-18(25)9-14/h4-12,26-27H,1-3H3
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| InChIKey |
AXKICXNQSRTDMD-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