General Information of the Compound
Compound ID
CP0465791
Compound Name
3-[5-(2-methylphenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
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Formula
C19H17NO3
Molecular Weight
307.349
Canonical SMILES
Cc1ccccc1-c1oc(CCC(O)=O)nc1-c1ccccc1
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InChI
InChI=1S/C19H17NO3/c1-13-7-5-6-10-15(13)19-18(14-8-3-2-4-9-14)20-16(23-19)11-12-17(21)22/h2-10H,11-12H2,1H3,(H,21,22)
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InChIKey
UOGWMBJTFZMJLA-UHFFFAOYSA-N
Physicochemical Property
logP
4.33422
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
63.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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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ChEMBL ID
CHEMBL4863720
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 = 16900 nM
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   LI
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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 = 13400 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 > 30000 nM
   TI
   LI
   LO
   TS