General Information of the Compound
Compound ID
CP0571232
Compound Name
3-(3,5-dimethoxyphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
    Show/Hide
Structure
Formula
C18H16N2O4S
Molecular Weight
356.403
Canonical SMILES
COc1cc(OC)cc(c1)N1C(=O)CSC11C(=O)Nc2ccccc12
    Show/Hide
InChI
InChI=1S/C18H16N2O4S/c1-23-12-7-11(8-13(9-12)24-2)20-16(21)10-25-18(20)14-5-3-4-6-15(14)19-17(18)22/h3-9H,10H2,1-2H3,(H,19,22)
    Show/Hide
InChIKey
KZTNAMOBVZMTIJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5887
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 16023081
ChEMBL ID
CHEMBL1733660
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 = 88 nM
   TI
   LI
   LO
   TS