L748328   Click here for help

GtoPdb Ligand ID: 3463

Synonyms: L-748,328 | L-748328
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 164.58
Molecular weight 505.13
XLogP 1.9
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1
Isomeric SMILES O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1
InChI InChI=1S/C23H27N3O6S2/c24-33(28,29)23-8-4-5-21(15-23)32-17-20(27)16-25-14-13-18-9-11-19(12-10-18)26-34(30,31)22-6-2-1-3-7-22/h1-12,15,20,25-27H,13-14,16-17H2,(H2,24,28,29)/t20-/m0/s1
InChI Key CVPJSQZQNBKALR-FQEVSTJZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(2S)-2-hydroxy-3-[2-[4-(phenylsulfonylamino)phenyl]ethylamino]propoxy]benzenesulfonamide
Synonyms Click here for help
L-748,328 | L-748328
Database Links Click here for help
CAS Registry No. 244192-93-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1628562
GtoPdb PubChem SID 53801070
PubChem CID 10323892
Search Google for chemical match using the InChIKey CVPJSQZQNBKALR-FQEVSTJZSA-N
Search Google for chemicals with the same backbone CVPJSQZQNBKALR
Search UniChem for chemical match using the InChIKey CVPJSQZQNBKALR-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone CVPJSQZQNBKALR