General Information of the Compound
| Compound ID |
CP0471599
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| Compound Name |
N-(1-adamantyl)-8-methoxy-4-oxo-1-pentyl-6-phenylquinoline-3-carboxamide
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| Structure |
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| Formula |
C32H38N2O3
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| Molecular Weight |
498.667
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(cc(OC)c12)-c1ccccc1
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| InChI |
InChI=1S/C32H38N2O3/c1-3-4-8-11-34-20-27(31(36)33-32-17-21-12-22(18-32)14-23(13-21)19-32)30(35)26-15-25(16-28(37-2)29(26)34)24-9-6-5-7-10-24/h5-7,9-10,15-16,20-23H,3-4,8,11-14,17-19H2,1-2H3,(H,33,36)
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| InChIKey |
YNPOEKHFIJKRHU-UHFFFAOYSA-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