General Information of the Compound
| Compound ID |
CP0388694
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| Compound Name |
(4-butylphenyl)-[4-(3,5-dichlorophenyl)-3-hydroxy-5-methoxyphenyl]methanone
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| Structure |
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| Formula |
C24H22Cl2O3
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| Molecular Weight |
429.343
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| Canonical SMILES |
CCCCc1ccc(cc1)C(=O)c1cc(O)c(c(OC)c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C24H22Cl2O3/c1-3-4-5-15-6-8-16(9-7-15)24(28)18-12-21(27)23(22(13-18)29-2)17-10-19(25)14-20(26)11-17/h6-14,27H,3-5H2,1-2H3
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| InChIKey |
XBHZEZASMCIMKU-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