General Information of the Compound
| Compound ID |
CP0399808
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| Compound Name |
3-[(4S,5S)-4-(4-Fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]benzonitrile
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| Structure |
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| Formula |
C22H16F2N4
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| Molecular Weight |
374.394
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| Canonical SMILES |
C[C@@H]1NC(=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C22H16F2N4/c1-14-22(17-5-8-19(23)9-6-17,18-7-10-20(24)26-13-18)28-21(27-14)16-4-2-3-15(11-16)12-25/h2-11,13-14H,1H3,(H,27,28)/t14-,22-/m0/s1
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| InChIKey |
QQTGFLGQBAVTTH-FPTDNZKUSA-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: PT01795, Neuropeptide Y receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2