General Information of the Compound
Compound ID
CP0918025
Compound Name
2-(4-Hydroxy-benzyl)-7-methyl-1H-benzoimidazol-4-ol hydrochloride
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Structure
Formula
C15H15ClN2O2
Molecular Weight
290.75
Canonical SMILES
Cc1ccc(O)c2[nH]c(Cc3ccc(O)cc3)nc12.Cl
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InChI
InChI=1S/C15H14N2O2.ClH/c1-9-2-7-12(19)15-14(9)16-13(17-15)8-10-3-5-11(18)6-4-10;/h2-7,18-19H,8H2,1H3,(H,16,17);1H
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InChIKey
QCQPFDWDRYMVJU-UHFFFAOYSA-N
Physicochemical Property
logP
3.29512
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
69.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 13971323
ChEMBL ID
CHEMBL1202801
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 = 6900 nM
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