General Information of the Compound
Compound ID
CP0434193
Compound Name
2-[(5S)-4,4-Bis(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarbonitrile
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Structure
Formula
C22H16F2N4
Molecular Weight
374.394
Canonical SMILES
C[C@@H]1NC(=NC1(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(ccn1)C#N
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InChI
InChI=1S/C22H16F2N4/c1-14-22(16-2-6-18(23)7-3-16,17-4-8-19(24)9-5-17)28-21(27-14)20-12-15(13-25)10-11-26-20/h2-12,14H,1H3,(H,27,28)/t14-/m0/s1
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InChIKey
FPIADEBJTXXJKB-AWEZNQCLSA-N
Physicochemical Property
logP
3.91358
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
61.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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).

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PubChem ID
CID: 44139234
SID: 85095106
ChEMBL ID
CHEMBL523134
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1730 nM
   TI
   LI
   LO
   TS