meclinertant   Click here for help

GtoPdb Ligand ID: 1582

Synonyms: reminertant | SR-48692 | SR48692
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
Isomeric SMILES COc1cccc(c1c1cc(nn1c1ccnc2c1ccc(c2)Cl)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
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)
InChI Key DYLJVOXRWLXDIG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
8097 meclinertant
Synonyms Click here for help
reminertant | SR-48692 | SR48692
Database Links Click here for help
CAS Registry No. 146362-70-1 (source: Scifinder)
ChEMBL Ligand CHEMBL506981
GtoPdb PubChem SID 135651079
PubChem CID 119192
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Tocris
SR 48692
Cat. No. 3721