General Information of the Compound
| Compound ID |
CP0929327
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| Compound Name |
1-(2-(4-methoxybenzyl)-1-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)-1H-benzo[d]imidazol-5-yl)ethanone
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
COc1ccc(Cc2nc3cc(C(C)=O)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1
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| InChI |
InChI=1S/C27H33N3O2/c1-19(31)21-10-13-26-24(17-21)28-27(16-20-8-11-23(32-2)12-9-20)30(26)18-22-6-5-15-29-14-4-3-7-25(22)29/h8-13,17,22,25H,3-7,14-16,18H2,1-2H3/t22-,25+/m0/s1
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| InChIKey |
UESORWCQFPYQSQ-WIOPSUGQSA-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