LG100268   

GtoPdb Ligand ID: 2808

Synonyms: LG-100268
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.19
Molecular weight 363.22
XLogP 6.54
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C
Isomeric SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C
InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
InChI Key SLXTWXQUEZSSTJ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
Synonyms
LG-100268
Database Links
BindingDB Ligand 50032671
CAS Registry No. 153559-76-3 (source: Scifinder)
ChEMBL Ligand CHEMBL288436
DrugBank Ligand DB01941
GtoPdb PubChem SID 135650517
NURSA Ligand 10.1621/4KP2PC9EKT
PubChem CID 3922
RCSB PDB Ligand LG2
Search Google for chemical match using the InChIKey SLXTWXQUEZSSTJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SLXTWXQUEZSSTJ
Search UniChem for chemical match using the InChIKey SLXTWXQUEZSSTJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SLXTWXQUEZSSTJ

Product suppliers

View disclaimer

Tocris
LG 100268
Cat. No. 5920