linopirdine   Click here for help

GtoPdb Ligand ID: 2599

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 46.09
Molecular weight 391.17
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
Isomeric SMILES O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
InChI InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
InChI Key YEJCDKJIEMIWRQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one
International Nonproprietary Names Click here for help
INN number INN
6952 linopirdine
Database Links Click here for help
CAS Registry No. 105431-72-9 (source: Scifinder)
ChEMBL Ligand CHEMBL319111
DrugCentral Ligand 4588
GtoPdb PubChem SID 135650523
PubChem CID 3932
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Wikipedia Linopirdine