General Information of the Compound
| Compound ID |
CP0442069
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| Compound Name |
4-[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C20H26N2O3
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| Molecular Weight |
342.439
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| Canonical SMILES |
O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CNC(=O)C1)c1ccccc1
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| InChI |
InChI=1S/C20H26N2O3/c23-18-12-14(13-21-18)19(24)22-11-10-20(25,15-6-2-1-3-7-15)16-8-4-5-9-17(16)22/h1-3,6-7,14,16-17,25H,4-5,8-13H2,(H,21,23)/t14?,16-,17+,20-/m1/s1
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| InChIKey |
ZICJRISHCDNMLQ-WPVUHESFSA-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