General Information of the Compound
| Compound ID |
CP0474020
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| Compound Name |
1-butyl-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
CCCCn1c(Cc2ccc(OCC)cc2)nc2cc(ccc12)C(=O)N(CC)CC
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| InChI |
InChI=1S/C25H33N3O2/c1-5-9-16-28-23-15-12-20(25(29)27(6-2)7-3)18-22(23)26-24(28)17-19-10-13-21(14-11-19)30-8-4/h10-15,18H,5-9,16-17H2,1-4H3
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| InChIKey |
ZZYZZOOPUSCGBY-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