General Information of the Compound
| Compound ID |
CP0427035
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| Compound Name |
(1S,3R)-N-((5-(4-chlorophenyl)-1-isopropyl-4-(2-methoxyethyl)-1H-imidazol-2-yl)methyl)-3-fluorocyclopentanamine
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| Structure |
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| Formula |
C21H29ClFN3O
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| Molecular Weight |
393.934
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| Canonical SMILES |
COCCc1nc(CN[C@H]2CC[C@@H](F)C2)n(C(C)C)c1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H29ClFN3O/c1-14(2)26-20(13-24-18-9-8-17(23)12-18)25-19(10-11-27-3)21(26)15-4-6-16(22)7-5-15/h4-7,14,17-18,24H,8-13H2,1-3H3/t17-,18+/m1/s1
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| InChIKey |
ZTCQDGJUOYNCFZ-MSOLQXFVSA-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