NS3763   

GtoPdb Ligand ID: 4274

Synonyms: NS-3763
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 132.8
Molecular weight 404.1
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O
Isomeric SMILES O=C(c1ccccc1)Nc1cc(NC(=O)c2ccccc2)c(cc1C(=O)O)C(=O)O
InChI InChI=1S/C22H16N2O6/c25-19(13-7-3-1-4-8-13)23-17-12-18(16(22(29)30)11-15(17)21(27)28)24-20(26)14-9-5-2-6-10-14/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChI Key UUDYZUDTQPLDDP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4,6-dibenzamidobenzene-1,3-dicarboxylic acid
Synonyms
NS-3763
Database Links
CAS Registry No. 70553-45-6
ChEMBL Ligand CHEMBL156717
GtoPdb PubChem SID 178101091
PubChem CID 4359312
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Tocris
NS 3763
Cat. No. 2187