General Information of the Compound
Compound ID
CP0957187
Compound Name
2-Bromo-4-(4-(m-tolyl)-1H-imidazol-5-yl)phenol
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Structure
Formula
C16H13BrN2O
Molecular Weight
329.197
Canonical SMILES
Cc1cccc(-c2nc[nH]c2-c2ccc(O)c(Br)c2)c1
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InChI
InChI=1S/C16H13BrN2O/c1-10-3-2-4-11(7-10)15-16(19-9-18-15)12-5-6-14(20)13(17)8-12/h2-9,20H,1H3,(H,18,19)
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InChIKey
VHLZWVIVWWHFHR-UHFFFAOYSA-N
Physicochemical Property
logP
4.52022
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 127048018
ChEMBL ID
CHEMBL3798622
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 = 5400 nM
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