General Information of the Compound
| Compound ID |
CP0433582
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| Compound Name |
1-[10-(dimethylamino)decyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C33H50N4O2
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| Molecular Weight |
534.789
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)C)C(=O)N(CC)CC)cc1
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| InChI |
InChI=1S/C33H50N4O2/c1-6-36(7-2)33(38)28-19-22-31-30(26-28)34-32(25-27-17-20-29(21-18-27)39-8-3)37(31)24-16-14-12-10-9-11-13-15-23-35(4)5/h17-22,26H,6-16,23-25H2,1-5H3
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| InChIKey |
DSVQYYJVKMYUOS-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