General Information of the Compound
Compound ID
CP0531423
Compound Name
2-oxo-N-[4-(phenylsulfamoyl)phenyl]chromene-3-carboxamide
    Show/Hide
Structure
Formula
C22H16N2O5S
Molecular Weight
420.446
Canonical SMILES
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1cc2ccccc2oc1=O
    Show/Hide
InChI
InChI=1S/C22H16N2O5S/c25-21(19-14-15-6-4-5-9-20(15)29-22(19)26)23-16-10-12-18(13-11-16)30(27,28)24-17-7-2-1-3-8-17/h1-14,24H,(H,23,25)
    Show/Hide
InChIKey
RBKXGVALYOHUQF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8461
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
105.48
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 24638090
ChEMBL ID
CHEMBL4871933
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: PT06792, Probable G-protein coupled receptor 27
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 7762.47 nM
   TI
   LI
   LO
   TS