LE135

Ligand Id: 3433
Ligand name LE135

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.9
Molecular weight 438.23
XLogP 9.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1, 4]benzodiazepin-13-yl)benzoic acid
Synonyms
4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-5H-benzo[e]naphtho[2,3-b][1,4]diazepin-13-yl)benzoic acid
Database Links
PubChem CID 10410894
Search Google for chemical match using the InChIKey YZZAIQOVMHVWBS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YZZAIQOVMHVWBS
ZINC ZINC08022476