General Information of the Compound
Compound ID |
CP0396892
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Compound Name |
N-(1-adamantyl)-2-butyl-6-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
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Structure |
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Formula |
C28H32N2O3
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Molecular Weight |
444.575
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Canonical SMILES |
CCCCc1nc2ccc(cc2c(O)c1C(=O)NC12CC3CC(CC(C3)C1)C2)-c1ccco1
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InChI |
InChI=1S/C28H32N2O3/c1-2-3-5-23-25(27(32)30-28-14-17-10-18(15-28)12-19(11-17)16-28)26(31)21-13-20(7-8-22(21)29-23)24-6-4-9-33-24/h4,6-9,13,17-19H,2-3,5,10-12,14-16H2,1H3,(H,29,31)(H,30,32)
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InChIKey |
HOQYFFDGCOMQQV-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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