General Information of the Compound
Compound ID
CP0051430
Compound Name
3-[N-(4-acetylphenyl)amino]benzoic acid
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Structure
Formula
C15H13NO3
Molecular Weight
255.273
Canonical SMILES
CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1
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InChI
InChI=1S/C15H13NO3/c1-10(17)11-5-7-13(8-6-11)16-14-4-2-3-12(9-14)15(18)19/h2-9,16H,1H3,(H,18,19)
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InChIKey
WVJCBUXADPESMP-UHFFFAOYSA-N
Physicochemical Property
logP
3.331
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
66.4
Hydrogen Bond Donor Count
2
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: 11184397
SID: 16265170
ChEMBL ID
CHEMBL1682201
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: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
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   LI
   LO
   TS