General Information of the Compound
Compound ID
CP0548175
Compound Name
7-hydroxy-2-oxo-6-thiophen-2-ylchromene-3-carboxylic acid
    Show/Hide
Structure
Formula
C14H8O5S
Molecular Weight
288.28
Canonical SMILES
OC(=O)c1cc2cc(-c3cccs3)c(O)cc2oc1=O
    Show/Hide
InChI
InChI=1S/C14H8O5S/c15-10-6-11-7(4-8(10)12-2-1-3-20-12)5-9(13(16)17)14(18)19-11/h1-6,15H,(H,16,17)
    Show/Hide
InChIKey
ZWXRCOYMKLCVFG-UHFFFAOYSA-N
Physicochemical Property
logP
2.9253
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 152727536
ChEMBL ID
CHEMBL4847144
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  3
1
EC50 = 2880 nM
   TI
   LI
   LO
   TS
2
IC50 = 160 nM
   TI
   LI
   LO
   TS
3
IC50 = 1450 nM
   TI
   LI
   LO
   TS