General Information of the Compound
| Compound ID |
CP0421937
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| Compound Name |
(1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-ethyl-1-(6-methylpyridin-3-yl)-1H-imidazol-4-yl)methyl)-3-fluorocyclopentanamine
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| Structure |
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| Formula |
C22H25ClFN5
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| Molecular Weight |
413.928
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| Canonical SMILES |
CCc1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
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| InChI |
InChI=1S/C22H25ClFN5/c1-3-20-19(13-27-16-8-7-15(24)11-16)28-22(21-18(23)5-4-10-25-21)29(20)17-9-6-14(2)26-12-17/h4-6,9-10,12,15-16,27H,3,7-8,11,13H2,1-2H3/t15-,16+/m1/s1
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| InChIKey |
NAYSJCOQZSLLDI-CVEARBPZSA-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: PT01360, Nociceptin receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2