General Information of the Compound
| Compound ID |
CP0413126
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| Compound Name |
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[3-(2-fluoroethylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H29F3N4O3
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| Molecular Weight |
442.482
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| Canonical SMILES |
CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NCCF
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| InChI |
InChI=1S/C21H29F3N4O3/c1-3-20(4-2,19(30)25-10-9-22)27-17(29)15-7-8-16(28-12-21(23,24)13-28)18(26-15)31-11-14-5-6-14/h7-8,14H,3-6,9-13H2,1-2H3,(H,25,30)(H,27,29)
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| InChIKey |
SPIVMZAFVVMBMD-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2