General Information of the Compound
| Compound ID |
CP0442068
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| Compound Name |
((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)(6-methylpyridin-3-yl)methanone
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
Cc1ccc(cn1)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1
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| InChI |
InChI=1S/C22H26N2O2/c1-16-11-12-17(15-23-16)21(25)24-14-13-22(26,18-7-3-2-4-8-18)19-9-5-6-10-20(19)24/h2-4,7-8,11-12,15,19-20,26H,5-6,9-10,13-14H2,1H3/t19-,20+,22-/m1/s1
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| InChIKey |
MGJMAZRUTZKUAL-RZUBCFFCSA-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: PT02190, Cannabinoid receptor 1
Protein ID: PT02333, Cannabinoid receptor 2