General Information of the Compound
| Compound ID |
CP0498367
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| Compound Name |
N-(1-adamantyl)-6-bromo-2-butyl-4-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C24H29BrN2O2
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| Molecular Weight |
457.412
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| Canonical SMILES |
CCCCc1nc2ccc(Br)cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C24H29BrN2O2/c1-2-3-4-20-21(22(28)18-10-17(25)5-6-19(18)26-20)23(29)27-24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16H,2-4,7-9,11-13H2,1H3,(H,26,28)(H,27,29)
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| InChIKey |
BTYHENBPEHZKQH-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