eglumegad   Click here for help

GtoPdb Ligand ID: 1393

Synonyms: LY354740
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 100.62
Molecular weight 185.07
XLogP -3.39
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1C2C1C(CC2)(N)C(=O)O
Isomeric SMILES OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O
InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
International Nonproprietary Names Click here for help
INN number INN
8244 eglumetad
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand eglumegad
Other databases
CAS Registry No. 176199-48-7 (source: Scifinder)
ChEMBL Ligand CHEMBL8759
GtoPdb PubChem SID 135650554
PubChem CID 213056
RCSB PDB Ligand 40F
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UniChem Compound Search for chemical match using the InChIKey VTAARTQTOOYTES-RGDLXGNYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VTAARTQTOOYTES-RGDLXGNYSA-N
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LY 354740 (links to external site)
Cat. No. 3246