[3H]meclinertant   Click here for help

GtoPdb Ligand ID: 1583

Synonyms: [3H]-SR48692 | [3H]reminertant | [3H]SR-48692
 Ligand is labelled  Ligand is radioactive
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 8
Topological polar surface area 115.05
Molecular weight 586.2
XLogP 3.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
Isomeric SMILES Clc1ccc2c(c1)nccc2n1nc(cc1c1c(cccc1OC([3H])([3H])[3H])OC([3H])([3H])[3H])C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3
InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/i1T3,2T3
InChI Key DYLJVOXRWLXDIG-VQBNBCTGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[5-[2,6-bis(tritritiomethoxy)phenyl]-1-(7-chloroquinolin-4-yl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Synonyms Click here for help
[3H]-SR48692 | [3H]reminertant | [3H]SR-48692
Database Links Click here for help
ChEMBL Ligand CHEMBL1628679
GtoPdb PubChem SID 135651210
PubChem CID 53323315
Search Google for chemical match using the InChIKey DYLJVOXRWLXDIG-VQBNBCTGSA-N
Search Google for chemicals with the same backbone DYLJVOXRWLXDIG
Search UniChem for chemical match using the InChIKey DYLJVOXRWLXDIG-VQBNBCTGSA-N
Search UniChem for chemicals with the same backbone DYLJVOXRWLXDIG