General Information of the Compound
Compound ID
CP0498581
Compound Name
7-Methyl-2-pyridin-3-ylmethyl-1H-benzoimidazol-4-ol
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Structure
Formula
C14H13N3O
Molecular Weight
239.278
Canonical SMILES
Cc1ccc(O)c2nc(Cc3cccnc3)[nH]c12
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InChI
InChI=1S/C14H13N3O/c1-9-4-5-11(18)14-13(9)16-12(17-14)7-10-3-2-6-15-8-10/h2-6,8,18H,7H2,1H3,(H,16,17)
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InChIKey
DHVGTFULKJGATP-UHFFFAOYSA-N
Physicochemical Property
logP
2.56272
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 23052399
ChEMBL ID
CHEMBL302982
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 5000 nM
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