General Information of the Compound
Compound ID
CP0423370
Compound Name
4,5-diphenyl-1,3-oxazole-2-carboxylic acid
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Structure
Formula
C16H11NO3
Molecular Weight
265.268
Canonical SMILES
OC(=O)c1nc(c(o1)-c1ccccc1)-c1ccccc1
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InChI
InChI=1S/C16H11NO3/c18-16(19)15-17-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19)
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InChIKey
MEJOWRJWDWAODC-UHFFFAOYSA-N
Physicochemical Property
logP
3.7068
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
63.33
Hydrogen Bond Donor Count
1
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: 23110241
ChEMBL ID
CHEMBL4847339
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: PT01930, Retinoic acid receptor RXR-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02769, Retinoic acid receptor RXR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 > 50000 nM
   TI
   LI
   LO
   TS