General Information of the Compound
Compound ID
CP0917559
Compound Name
4-(4-Phenyl-1H-imidazol-5-yl)benzene-1,2-diol
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Structure
Formula
C15H12N2O2
Molecular Weight
252.273
Canonical SMILES
Oc1ccc(-c2[nH]cnc2-c2ccccc2)cc1O
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InChI
InChI=1S/C15H12N2O2/c18-12-7-6-11(8-13(12)19)15-14(16-9-17-15)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
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InChIKey
GHBUAFKIUWAVNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.1549
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
69.14
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 127047748
ChEMBL ID
CHEMBL3798139
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 = 6300 nM
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