General Information of the Compound
| Compound ID |
CP0905763
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| Compound Name |
(1S,9aR)-1-(2-(2-((2H-benzo[d][1,2,3]triazol-2-yl)methyl)-5-chloro-1H-benzo[d]imidazol-1-yl)ethyl)octahydro-1H-quinolizine
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| Structure |
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| Formula |
C25H29ClN6
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| Molecular Weight |
449.002
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| Canonical SMILES |
Clc1ccc2c(c1)nc(Cn1nc3ccccc3n1)n2CC[C@@H]1CCCN2CCCC[C@H]12
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| InChI |
InChI=1S/C25H29ClN6/c26-19-10-11-24-22(16-19)27-25(17-32-28-20-7-1-2-8-21(20)29-32)31(24)15-12-18-6-5-14-30-13-4-3-9-23(18)30/h1-2,7-8,10-11,16,18,23H,3-6,9,12-15,17H2/t18-,23+/m0/s1
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| InChIKey |
UEVGVSHKZWWMTP-FDDCHVKYSA-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