[3H]52770 RP   

GtoPdb Ligand ID: 1858

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 72.22
Molecular weight 355.05
XLogP 3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1
Isomeric SMILES Clc1cccc(c1)NC(=O)c1ccn2c1CSC2c1cccnc1
InChI InChI=1S/C18H14ClN3OS/c19-13-4-1-5-14(9-13)21-17(23)15-6-8-22-16(15)11-24-18(22)12-3-2-7-20-10-12/h1-10,18H,11H2,(H,21,23)
InChI Key MJGVBIXLFIUPQU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(3-chlorophenyl)-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
Database Links
ChEMBL Ligand CHEMBL64716
GtoPdb PubChem SID 135651127
PubChem CID 146417
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