L-367,773   Click here for help

GtoPdb Ligand ID: 2246

Synonyms: L 367773 | L-367773
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.54
Molecular weight 510.27
XLogP 4.46
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(Cc1cnc[nH]1)NC1CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C
Isomeric SMILES O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C
InChI InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,21,24H,7-16,18H2,1-2H3,(H,29,30)(H,31,33)/t21-,24+,28-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
L 367773 | L-367773
Database Links Click here for help
BindingDB Ligand 50043194
ChEMBL Ligand CHEMBL338522
GtoPdb PubChem SID 135650469
PubChem CID 10413997
Search Google for chemical match using the InChIKey VQAVBHLGXVZOKM-RASJMTDNSA-N
Search Google for chemicals with the same backbone VQAVBHLGXVZOKM
UniChem Compound Search for chemical match using the InChIKey VQAVBHLGXVZOKM-RASJMTDNSA-N
UniChem Connectivity Search for chemical match using the InChIKey VQAVBHLGXVZOKM-RASJMTDNSA-N