General Information of the Compound
| Compound ID |
CP0460126
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| Compound Name |
1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-3-(ethylamino)azetidine-3-carboxamide
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| Structure |
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| Formula |
C22H20ClF3N6O
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| Molecular Weight |
476.89
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| Canonical SMILES |
CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
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| InChI |
InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)
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| InChIKey |
YSPBHPREQBXDKT-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