General Information of the Compound
| Compound ID |
CP0472351
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| Compound Name |
N-(1-adamantyl)-1-butyl-8-methoxy-4-oxoquinoline-3-carboxamide
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| Structure |
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| Formula |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
CCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(OC)c12
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| InChI |
InChI=1S/C25H32N2O3/c1-3-4-8-27-15-20(23(28)19-6-5-7-21(30-2)22(19)27)24(29)26-25-12-16-9-17(13-25)11-18(10-16)14-25/h5-7,15-18H,3-4,8-14H2,1-2H3,(H,26,29)
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| InChIKey |
YFLIOQCMPHQKCY-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