General Information of the Compound
| Compound ID |
CP0436295
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| Compound Name |
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(1-methylimidazol-2-yl)methanone
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
Cn1ccnc1C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1
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| InChI |
InChI=1S/C20H25N3O2/c1-22-14-12-21-18(22)19(24)23-13-11-20(25,15-7-3-2-4-8-15)16-9-5-6-10-17(16)23/h2-4,7-8,12,14,16-17,25H,5-6,9-11,13H2,1H3/t16-,17+,20-/m1/s1
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| InChIKey |
IPNBYBRGLAYHDP-FUHIMQAGSA-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