AIDA   Click here for help

GtoPdb Ligand ID: 1376

Synonyms: GNF-Pf-1401 | UPF 523 | UPF523
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 221.07
XLogP -1.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O
Isomeric SMILES OC(=O)c1ccc2c(c1)CCC2(N)C(=O)O
InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)
InChI Key LSTPKMWNRWCNLS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-amino-2,3-dihydroindene-1,5-dicarboxylic acid
Synonyms Click here for help
GNF-Pf-1401 | UPF 523 | UPF523
Database Links Click here for help
BindingDB Ligand 50030630
CAS Registry No. 168560-79-0 (source: Scifinder)
ChEMBL Ligand CHEMBL313938
GtoPdb PubChem SID 135649911
PubChem CID 2071
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Tocris
AIDA
Cat. No. 0904