ciglitazone   Click here for help

GtoPdb Ligand ID: 2711

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 5
Topological polar surface area 80.7
Molecular weight 333.14
XLogP 3.79
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
Isomeric SMILES O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
InChI InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5364 ciglitazone
Database Links Click here for help
BindingDB Ligand 50049243
CAS Registry No. 74772-77-3 (source: Scifinder)
ChEMBL Ligand CHEMBL7002
GtoPdb PubChem SID 135650096
PubChem CID 2750
Search Google for chemical match using the InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N
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Search PubMed clinical trials ciglitazone
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UniChem Compound Search for chemical match using the InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YZFWTZACSRHJQD-UHFFFAOYSA-N
Wikipedia Ciglitazone

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Cat. No. 1309