General Information of the Compound
Compound ID
CP0945291
Compound Name
4-Methoxy-2-(1-propyl-1H-imidazol-5-yl)phenol
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Structure
Formula
C13H16N2O2
Molecular Weight
232.283
Canonical SMILES
CCCn1cncc1-c1cc(OC)ccc1O
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InChI
InChI=1S/C13H16N2O2/c1-3-6-15-9-14-8-12(15)11-7-10(17-2)4-5-13(11)16/h4-5,7-9,16H,3,6H2,1-2H3
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InChIKey
NRFUJUWYZVXOGH-UHFFFAOYSA-N
Physicochemical Property
logP
2.6743
Rotatable Bonds
4
Heavy Atom Count
17
Polar Areas
47.28
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 127046780
ChEMBL ID
CHEMBL3797275
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
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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