General Information of the Compound
Compound ID
CP0571231
Compound Name
3-phenylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
    Show/Hide
Structure
Formula
C16H12N2O2S
Molecular Weight
296.351
Canonical SMILES
O=C1CSC2(N1c1ccccc1)C(=O)Nc1ccccc21
    Show/Hide
InChI
InChI=1S/C16H12N2O2S/c19-14-10-21-16(18(14)11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-15(16)20/h1-9H,10H2,(H,17,20)
    Show/Hide
InChIKey
YOUZPGWSTPAIRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.5715
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 2816054
SID: 15047873
ChEMBL ID
CHEMBL3260784
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 5700 nM
   TI
   LI
   LO
   TS