General Information of the Compound
| Compound ID |
CP0494386
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| Compound Name |
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-piperazin-2-ylmethanone
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| Structure |
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| Formula |
C20H29N3O2
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| Molecular Weight |
343.471
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| Canonical SMILES |
O[C@]1(CCN([C@H]2CCCC[C@@H]12)C(=O)C1CNCCN1)c1ccccc1
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| InChI |
InChI=1S/C20H29N3O2/c24-19(17-14-21-11-12-22-17)23-13-10-20(25,15-6-2-1-3-7-15)16-8-4-5-9-18(16)23/h1-3,6-7,16-18,21-22,25H,4-5,8-14H2/t16-,17?,18+,20-/m1/s1
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| InChIKey |
DDRWLXCQGHGFRU-VUMITEIJSA-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