itriglumide   Click here for help

GtoPdb Ligand ID: 909

Synonyms: CR-2945
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 86.71
Molecular weight 526.28
XLogP 7.07
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)CC(c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C
Isomeric SMILES OC(=O)C[C@H](c1cccc2c1cccc2)CC(=O)Nc1c(C)cc(cc1C(=O)N1CCC2(CC1)CCCC2)C
InChI InChI=1S/C33H38N2O4/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t25-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-5-[[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylphenyl]amino]-3-naphthalen-1-yl-5-oxopentanoic acid
International Nonproprietary Names Click here for help
INN number INN
7931 itriglumide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand itriglumide
Other databases
CAS Registry No. 201605-51-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1256717
GtoPdb PubChem SID 135650437
PubChem CID 6604121
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