General Information of the Compound
| Compound ID |
CP0439366
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| Compound Name |
(1S,3R)-N-((2-(3-chloropyridin-2-yl)-5-isopropyl-1-(6-methylpyridin-3-yl)-1H-imidazol-4-yl)methyl)-3-fluorocyclopentanamine
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| Structure |
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| Formula |
C23H27ClFN5
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| Molecular Weight |
427.955
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| Canonical SMILES |
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(-c2ncccc2Cl)n1-c1ccc(C)nc1
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| InChI |
InChI=1S/C23H27ClFN5/c1-14(2)22-20(13-28-17-8-7-16(25)11-17)29-23(21-19(24)5-4-10-26-21)30(22)18-9-6-15(3)27-12-18/h4-6,9-10,12,14,16-17,28H,7-8,11,13H2,1-3H3/t16-,17+/m1/s1
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| InChIKey |
QDXKTBFIOVZINL-SJORKVTESA-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