General Information of the Compound
Compound ID
CP0563460
Compound Name
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-methylbenzoyl)amino]benzoic acid
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Formula
C20H18N2O4
Molecular Weight
350.374
Canonical SMILES
Cc1noc(C)c1-c1cc(NC(=O)c2ccc(C)cc2)cc(c1)C(O)=O
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InChI
InChI=1S/C20H18N2O4/c1-11-4-6-14(7-5-11)19(23)21-17-9-15(8-16(10-17)20(24)25)18-12(2)22-26-13(18)3/h4-10H,1-3H3,(H,21,23)(H,24,25)
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InChIKey
AIZMDUKJRYSYNN-UHFFFAOYSA-N
Physicochemical Property
logP
4.21736
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
92.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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
CHEMBL4875670
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: PT05434, P2Y purinoceptor 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2.95 nM
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