compound 1 [PMID: 11425539]   Click here for help

GtoPdb Ligand ID: 6542

Compound class: Synthetic organic
Comment: Cathepsin G inhibitor
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 40.62
Molecular weight 266.11
XLogP 2.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
Isomeric SMILES O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChI InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key PGIXYPNBNAOYHW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,3-bis(phenylmethyl)-1,3-diazetidine-2,4-dione
Database Links Click here for help
ChEMBL Ligand CHEMBL47394
GtoPdb PubChem SID 178103156
PubChem CID 10038543
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