General Information of the Compound
| Compound ID |
CP0423081
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| Compound Name |
N-(1-adamantyl)-6-bromo-1-but-3-enyl-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C24H27BrN2O2
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| Molecular Weight |
455.396
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| Canonical SMILES |
Brc1ccc2n(CCC=C)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c2c1
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| InChI |
InChI=1S/C24H27BrN2O2/c1-2-3-6-27-14-20(22(28)19-10-18(25)4-5-21(19)27)23(29)26-24-11-15-7-16(12-24)9-17(8-15)13-24/h2,4-5,10,14-17H,1,3,6-9,11-13H2,(H,26,29)
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| InChIKey |
LHAVUOBSKKOHDX-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