General Information of the Compound
Compound ID
CP0402259
Compound Name
4'-(2-(5-(cyclopentylmethyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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Synonyms
2-[4-[2-[5-(Cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
2-[4-[2-[5-(cyclopentylmethyl)-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
4''-(2-(5-(cyclopentylmethyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
BDBM50313741
Bag-2
CHEMBL1084942
GTPL6189
GTPL8506
SCHEMBL6982673
[3H]bag-2
bag-2
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Structure
Formula
C24H26N2O2
Molecular Weight
374.484
Canonical SMILES
OC(=O)c1ccccc1-c1ccc(CCc2ncc(CC3CCCC3)[nH]2)cc1
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InChI
InChI=1S/C24H26N2O2/c27-24(28)22-8-4-3-7-21(22)19-12-9-17(10-13-19)11-14-23-25-16-20(26-23)15-18-5-1-2-6-18/h3-4,7-10,12-13,16,18H,1-2,5-6,11,14-15H2,(H,25,26)(H,27,28)
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InChIKey
OENIXTHWZWFYIV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2928
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 25025654
SID: 56376301
ChEMBL ID
CHEMBL1084942
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: PT05422, Bombesin receptor subtype-3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000866 HEK293 AequoScreen
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01996, Bombesin receptor subtype-3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000866 HEK293 AequoScreen
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 133 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3H]bag-2 )
Drug Name [3H]bag-2