General Information of the Compound
| Compound ID |
CP0520766
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| Compound Name |
8-butoxy-N-[2-[1-(2-fluoroethyl)triazol-4-yl]ethyl]-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C21H26FN5O4
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| Molecular Weight |
431.468
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| Canonical SMILES |
CCCCOc1c(OC)ccc2cc(C(=O)NCCc3cn(CCF)nn3)c(=O)[nH]c12
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| InChI |
InChI=1S/C21H26FN5O4/c1-3-4-11-31-19-17(30-2)6-5-14-12-16(21(29)24-18(14)19)20(28)23-9-7-15-13-27(10-8-22)26-25-15/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,23,28)(H,24,29)
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| InChIKey |
UUDSOVGGCULQFR-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