General Information of the Compound
| Compound ID |
CP0507677
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| Compound Name |
5-[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]-1-methylpiperidin-2-one
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| Structure |
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| Formula |
C22H30N2O3
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| Molecular Weight |
370.493
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| Canonical SMILES |
CN1CC(CCC1=O)C(=O)N1CC[C@](O)([C@@H]2CCCC[C@H]12)c1ccccc1
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| InChI |
InChI=1S/C22H30N2O3/c1-23-15-16(11-12-20(23)25)21(26)24-14-13-22(27,17-7-3-2-4-8-17)18-9-5-6-10-19(18)24/h2-4,7-8,16,18-19,27H,5-6,9-15H2,1H3/t16?,18-,19+,22-/m1/s1
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| InChIKey |
BNPTZRKICZEZPR-SQWHNCPASA-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