General Information of the Compound
Compound ID
CP0480284
Compound Name
4-(6-(4-butylphenyl)-1H-benzo[d]imidazol-2-yl)-2-hydroxybenzoic acid
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Structure
Formula
C24H22N2O3
Molecular Weight
386.451
Canonical SMILES
CCCCc1ccc(cc1)-c1ccc2nc([nH]c2c1)-c1ccc(C(O)=O)c(O)c1
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InChI
InChI=1S/C24H22N2O3/c1-2-3-4-15-5-7-16(8-6-15)17-10-12-20-21(13-17)26-23(25-20)18-9-11-19(24(28)29)22(27)14-18/h5-14,27H,2-4H2,1H3,(H,25,26)(H,28,29)
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InChIKey
GSGINGQDLLWOPZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.6433
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
86.21
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 16062172
SID: 24703393
ChEMBL ID
CHEMBL497349
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: PT06051, Thrombopoietin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
EC50 = 179 nM
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