General Information of the Compound
| Compound ID |
CP0431068
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| Compound Name |
(1S,3R)-N-((1-(3,5-difluorophenyl)-5-isopropyl-2-methyl-1H-imidazol-4-yl)methyl)-3-fluorocyclopentanamine
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| Structure |
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| Formula |
C19H24F3N3
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| Molecular Weight |
351.416
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| Canonical SMILES |
CC(C)c1c(CN[C@H]2CC[C@@H](F)C2)nc(C)n1-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C19H24F3N3/c1-11(2)19-18(10-23-16-5-4-13(20)7-16)24-12(3)25(19)17-8-14(21)6-15(22)9-17/h6,8-9,11,13,16,23H,4-5,7,10H2,1-3H3/t13-,16+/m1/s1
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| InChIKey |
WXGFDISGDAGZCW-CJNGLKHVSA-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