mozavaptan   Click here for help

GtoPdb Ligand ID: 2197

Synonyms: OPC 31260 | OPC-31260 | OPC31260
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 52.65
Molecular weight 427.23
XLogP 4.9
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C
Isomeric SMILES O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C
InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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
8248 mozavaptan
Synonyms Click here for help
OPC 31260 | OPC-31260 | OPC31260
Database Links Click here for help
BindingDB Ligand 50028857
CAS Registry No. 137975-06-5 (source: Scifinder)
ChEMBL Ligand CHEMBL420762
DrugCentral Ligand 4004
GtoPdb PubChem SID 135650774
PubChem CID 119369
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UniChem Compound Search for chemical match using the InChIKey WRNXUQJJCIZICJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WRNXUQJJCIZICJ-UHFFFAOYSA-N
Wikipedia Mozavaptan