General Information of the Compound
| Compound ID |
CP0446595
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| Compound Name |
2‐(4‐methoxyphenyl)‐1‐[(4‐methoxyphenyl)methyl]‐ 1,3‐benzodiazole (B14)
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| Structure |
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| Formula |
C22H20N2O2
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| Molecular Weight |
344.414
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| Canonical SMILES |
COc1ccc(Cn2c(nc3ccccc23)-c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3
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| InChIKey |
YDUZZETWBAQFAY-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