reglitazar   Click here for help

GtoPdb Ligand ID: 2670

Synonyms: JTT-501
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 90.66
Molecular weight 392.14
XLogP 3.23
No. Lipinski's rules broken 0
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Canonical SMILES O=C1ONC(=O)C1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
Isomeric SMILES O=C1ONC(=O)C1Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
InChI InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,18H,11-13H2,1H3,(H,24,25)
Classification Click here for help
Compound class Synthetic organic
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International Nonproprietary Names Click here for help
INN number INN
8042 reglitazar
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 50064455
CAS Registry No. 170861-63-9 (source: Scifinder)
ChEMBL Ligand CHEMBL293526
GtoPdb PubChem SID 135650893
PubChem CID 154000
Search Google for chemical match using the InChIKey QBQLYIISSRXYKL-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey QBQLYIISSRXYKL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QBQLYIISSRXYKL-UHFFFAOYSA-N