General Information of the Compound
Compound ID
CP0435114
Compound Name
2-oxo-7-pyrrolidin-1-ylchromene-3-carboxylic acid
    Show/Hide
Structure
Formula
C14H13NO4
Molecular Weight
259.261
Canonical SMILES
OC(=O)c1cc2ccc(cc2oc1=O)N1CCCC1
    Show/Hide
InChI
InChI=1S/C14H13NO4/c16-13(17)11-7-9-3-4-10(15-5-1-2-6-15)8-12(9)19-14(11)18/h3-4,7-8H,1-2,5-6H2,(H,16,17)
    Show/Hide
InChIKey
AZGXIHFVKOMJRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.0914
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
70.75
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71667689
ChEMBL ID
CHEMBL2442511
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: PT06330, Monocarboxylate transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000478 RBE4 Rattus norvegicus (Rat)  1
1
IC50 = 220 nM
   TI
   LI
   LO
   TS
CL000813 bEnd.4 Mus musculus (Mouse)  1
1
IC50 = 380 nM
   TI
   LI
   LO
   TS
Protein ID: PT06656, Monocarboxylate transporter 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000588 SiHa Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000588 SiHa Homo sapiens (Human)  1
1
EC50 = 14300 nM
   TI
   LI
   LO
   TS