relcovaptan   Click here for help

GtoPdb Ligand ID: 2200

Synonyms: SR 49059 | SR-49059 | SR49059
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 147.85
Molecular weight 619.09
XLogP 3.96
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2C(C1C(=O)N1CCCC1C(=O)N)(O)c1ccccc1Cl)Cl
Isomeric SMILES COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl
InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7809 relcovaptan
Synonyms Click here for help
SR 49059 | SR-49059 | SR49059
Database Links Click here for help
Specialist databases
GPCRdb Ligand relcovaptan
Other databases
BindingDB Ligand 50114031
CAS Registry No. 150375-75-0 (source: Scifinder)
ChEMBL Ligand CHEMBL419667
GtoPdb PubChem SID 135651080
PubChem CID 60943
Search Google for chemical match using the InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N
Search Google for chemicals with the same backbone CEBYCSRFKCEUSW
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UniChem Compound Search for chemical match using the InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N
UniChem Connectivity Search for chemical match using the InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N
Wikipedia Relcovaptan

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SR 49059 (links to external site)
Cat. No. 2310