General Information of the Compound
| Compound ID |
CP0423243
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| Compound Name |
5-(3-(3-(2-Chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propylamino)-2-(2,2,2-trifluoroethoxy)nicotinonitrile
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| Structure |
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| Formula |
C19H14ClF4N5O2
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| Molecular Weight |
455.799
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| Canonical SMILES |
Fc1ccc(-c2noc(CCCNc3cnc(OCC(F)(F)F)c(c3)C#N)n2)c(Cl)c1
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| InChI |
InChI=1S/C19H14ClF4N5O2/c20-15-7-12(21)3-4-14(15)17-28-16(31-29-17)2-1-5-26-13-6-11(8-25)18(27-9-13)30-10-19(22,23)24/h3-4,6-7,9,26H,1-2,5,10H2
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| InChIKey |
YVAYPXZJQGIWMD-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2