General Information of the Compound
Compound ID
CP0883494
Compound Name
[2-(({[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazono}methyl)phenoxy]acetic acid
    Show/Hide
Structure
Formula
C14H14N4O4
Molecular Weight
302.29
Canonical SMILES
Cc1cc(C(=O)N/N=C/c2ccccc2OCC(=O)O)[nH]n1
    Show/Hide
InChI
InChI=1S/C14H14N4O4/c1-9-6-11(17-16-9)14(21)18-15-7-10-4-2-3-5-12(10)22-8-13(19)20/h2-7H,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)/b15-7+
    Show/Hide
InChIKey
FUZNPOCHADNEAW-VIZOYTHASA-N
Physicochemical Property
logP
0.94542
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
116.67
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5344298
ChEMBL ID
CHEMBL217287
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: PT01171, Prostaglandin D2 receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 11200 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS