General Information of the Compound
| Compound ID |
CP0919384
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| Compound Name |
2-{(4S,5S)-4-(4-Fluorophenyl)-5-methyl-4-[6-(methyloxy)-3-pyridyl]-4,5-dihydro-1H-imidazol-2-yl}-4-pyridinecarbonitrile Hydrochloride
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| Structure |
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| Formula |
C22H19ClFN5O
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| Molecular Weight |
423.879
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| Canonical SMILES |
COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1.Cl
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| InChI |
InChI=1S/C22H18FN5O.ClH/c1-14-22(16-3-6-18(23)7-4-16,17-5-8-20(29-2)26-13-17)28-21(27-14)19-11-15(12-24)9-10-25-19;/h3-11,13-14H,1-2H3,(H,27,28);1H/t14-,22-;/m0./s1
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| InChIKey |
CNFBQVVFEVRUMX-BADXIMCJSA-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