[3H]flunitrazepam   

GtoPdb Ligand ID: 4360

   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 75.81
Molecular weight 313.09
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F
Isomeric SMILES CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F
InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
InChI Key PPTYJKAXVCCBDU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
Database Links
ChEMBL Ligand CHEMBL13280
DrugCentral Ligand 1202
GtoPdb PubChem SID 178101176
PubChem CID 3380
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