cicloprolol   Click here for help

GtoPdb Ligand ID: 552

Synonyms: SL 75-177-10
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 2
Rotatable bonds 12
Topological polar surface area 59.95
Molecular weight 323.21
XLogP 2.23
No. Lipinski's rules broken 1
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Canonical SMILES OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)OCCOCC1CC1)CNC(C)C
InChI InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3
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
5250 cicloprolol
Synonyms Click here for help
SL 75-177-10
Database Links Click here for help
Specialist databases
GPCRdb Ligand cicloprolol
Reactome Drug Reactome logo R-ALL-9618315
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
CAS Registry No. 94651-09-9 (source: Scifinder)
ChEMBL Ligand CHEMBL2110772
DrugCentral Ligand 637
GtoPdb PubChem SID 135650095
PubChem CID 146294
Search Google for chemical match using the InChIKey JNDJPKHYZWRRIS-UHFFFAOYSA-N
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Search PubMed clinical trials cicloprolol
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UniChem Compound Search for chemical match using the InChIKey JNDJPKHYZWRRIS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JNDJPKHYZWRRIS-UHFFFAOYSA-N
Wikipedia Cicloprolol