camonagrel   Click here for help

GtoPdb Ligand ID: 5157

Compound class: Synthetic organic
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 64.35
Molecular weight 272.12
XLogP 1.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1
Isomeric SMILES OC(=O)C1CCc2c1ccc(c2)OCCn1cncc1
InChI InChI=1S/C15H16N2O3/c18-15(19)14-3-1-11-9-12(2-4-13(11)14)20-8-7-17-6-5-16-10-17/h2,4-6,9-10,14H,1,3,7-8H2,(H,18,19)
InChI Key IRWWXLHSNMVHNY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[2-(1H-imidazol-1-yl)ethoxy]-2,3-dihydro-1H-indene-1-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
6379 camonagrel
Database Links Click here for help
CAS Registry No. 105920-77-2
ChEMBL Ligand CHEMBL2104622
GtoPdb PubChem SID 178101849
PubChem CID 65892
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