General Information of the Compound
| Compound ID |
CP0387754
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| Compound Name |
(+/-) N-(4-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)butan-2-yl)quinolin-3-amine
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| Structure |
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| Formula |
C21H18ClFN4O
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| Molecular Weight |
396.853
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| Canonical SMILES |
CC(CCc1nc(no1)-c1ccc(F)cc1Cl)Nc1cnc2ccccc2c1
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| InChI |
InChI=1S/C21H18ClFN4O/c1-13(25-16-10-14-4-2-3-5-19(14)24-12-16)6-9-20-26-21(27-28-20)17-8-7-15(23)11-18(17)22/h2-5,7-8,10-13,25H,6,9H2,1H3
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| InChIKey |
XHOOXTMFAABYSL-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