General Information of the Compound
| Compound ID |
CP0506638
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| Compound Name |
N-(1-adamantyl)-4-oxo-8-phenyl-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
Oc1c(cnc2c(cccc12)-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C26H26N2O2/c29-24-21-8-4-7-20(19-5-2-1-3-6-19)23(21)27-15-22(24)25(30)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,15-18H,9-14H2,(H,27,29)(H,28,30)
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| InChIKey |
KLLYZIMCEWAWBM-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