tenidap   

GtoPdb Ligand ID: 2395

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 111.87
Molecular weight 320
XLogP 2.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)C(=C(c1cccs1)O)C(=O)N2C(=O)N
Isomeric SMILES Clc1ccc2c(c1)/C(=C(\c1cccs1)/O)/C(=O)N2C(=O)N
InChI InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,18H,(H2,16,20)/b12-11-
InChI Key LXIKEPCNDFVJKC-QXMHVHEDSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-5-chloro-3-[hydroxy(thiophen-2-yl)methylidene]-2-oxoindole-1-carboxamide
International Nonproprietary Names
INN number INN
6421 tenidap
Database Links
BindingDB Ligand 50012859
CAS Registry No. 120210-48-2 (source: Scifinder)
ChEBI CHEBI:35847
ChEMBL Ligand CHEMBL1908355
DrugCentral Ligand 4728
GtoPdb PubChem SID 135651243
PubChem CID 54683953
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Tenidap
Cat. No. 2580