General Information of the Compound
| Compound ID |
CP0849154
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| Compound Name |
5-(4-Chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxamide
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| Structure |
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| Formula |
C20H20ClF3N2O3
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| Molecular Weight |
428.838
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| Canonical SMILES |
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C20H20ClF3N2O3/c21-14-7-5-12(6-8-14)15-9-13(10-25-19(15)29-11-20(22,23)24)18(28)26-16-3-1-2-4-17(16)27/h5-10,16-17,27H,1-4,11H2,(H,26,28)/t16-,17-/m1/s1
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| InChIKey |
KMOLUSUCGKIBAQ-IAGOWNOFSA-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