General Information of the Compound
| Compound ID |
CP0399621
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| Compound Name |
1-(2-ethoxyethyl)-N-(3-hydroxy-1-adamantyl)-8-methoxy-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C25H32N2O5
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| Molecular Weight |
440.54
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| Canonical SMILES |
CCOCCn1cc(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c(=O)c2cccc(OC)c12
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| InChI |
InChI=1S/C25H32N2O5/c1-3-32-8-7-27-14-19(22(28)18-5-4-6-20(31-2)21(18)27)23(29)26-24-10-16-9-17(11-24)13-25(30,12-16)15-24/h4-6,14,16-17,30H,3,7-13,15H2,1-2H3,(H,26,29)
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| InChIKey |
LIPHFEVGKVUDBY-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