lorglumide   

GtoPdb Ligand ID: 891

Synonyms: CR-1409
Compound class: Synthetic organic
Comment: The INN-assigned compound is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 86.71
Molecular weight 458.17
XLogP 5.82
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC
Isomeric SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC
InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
InChI Key IEKOTSCYBBDIJC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
International Nonproprietary Names
INN number INN
5961 lorglumide
Synonyms
CR-1409
Database Links
BindingDB Ligand 50008170
CAS Registry No. 97964-56-2 (source: Scifinder)
ChEMBL Ligand CHEMBL24938
GtoPdb PubChem SID 135650531
PubChem CID 3960
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Wikipedia Lorglumide