General Information of the Compound
| Compound ID |
CP0879201
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| Compound Name |
(1S,9aR)-1-((2-(4-methoxybenzyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)methyl)octahydro-1H-quinolizine
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| Structure |
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| Formula |
C26H30F3N3O
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| Molecular Weight |
457.54
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| Canonical SMILES |
COc1ccc(Cc2nc3cc(C(F)(F)F)ccc3n2C[C@@H]2CCCN3CCCC[C@H]23)cc1
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| InChI |
InChI=1S/C26H30F3N3O/c1-33-21-10-7-18(8-11-21)15-25-30-22-16-20(26(27,28)29)9-12-24(22)32(25)17-19-5-4-14-31-13-3-2-6-23(19)31/h7-12,16,19,23H,2-6,13-15,17H2,1H3/t19-,23+/m0/s1
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| InChIKey |
TZCMOUOFLGIXFI-WMZHIEFXSA-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