General Information of the Compound
Compound ID
CP0527011
Compound Name
4,4-bis(4-fluorophenyl)-2-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-imidazole
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Structure
Formula
C22H15F5N2
Molecular Weight
402.366
Canonical SMILES
Fc1ccc(cc1)C1(CNC(=N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
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InChI
InChI=1S/C22H15F5N2/c23-18-8-4-15(5-9-18)21(16-6-10-19(24)11-7-16)13-28-20(29-21)14-2-1-3-17(12-14)22(25,26)27/h1-12H,13H2,(H,28,29)
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InChIKey
LGNMZDDYTDVTCQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2772
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 10294504
SID: 15301177
ChEMBL ID
CHEMBL492388
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
CL000440 LM Homo sapiens (Human)  1
1
IC50 = 6.2 nM
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