General Information of the Compound
Compound ID
CP0361242
Compound Name
2-(1H-imidazol-5-yl)-4-methylphenol
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Structure
Formula
C10H10N2O
Molecular Weight
174.203
Canonical SMILES
Cc1ccc(O)c(c1)-c1cnc[nH]1
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InChI
InChI=1S/C10H10N2O/c1-7-2-3-10(13)8(4-7)9-5-11-6-12-9/h2-6,13H,1H3,(H,11,12)
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InChIKey
QCQWMLZTPVTBGR-UHFFFAOYSA-N
Physicochemical Property
logP
2.09072
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 58294080
ChEMBL ID
CHEMBL4576216
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
EC50 = 2400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 640 nM