General Information of the Compound
| Compound ID |
CP0476190
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| Compound Name |
2-[(5S)-4,4-Bis(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
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| Structure |
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| Formula |
C20H14F2N6
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| Molecular Weight |
376.37
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| Canonical SMILES |
C[C@@H]1NC(=NC1(c1ccc(F)nc1)c1ccc(F)nc1)c1cc(ccn1)C#N
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| InChI |
InChI=1S/C20H14F2N6/c1-12-20(14-2-4-17(21)25-10-14,15-3-5-18(22)26-11-15)28-19(27-12)16-8-13(9-23)6-7-24-16/h2-8,10-12H,1H3,(H,27,28)/t12-/m0/s1
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| InChIKey |
KLGIIFLXERSHOH-LBPRGKRZSA-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