flesinoxan   Click here for help

GtoPdb Ligand ID: 1

Synonyms: (+)-flesinoxan | DU-29,373
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 2
Rotatable bonds 7
Topological polar surface area 74.27
Molecular weight 415.19
XLogP 2.05
No. Lipinski's rules broken 0
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Canonical SMILES OCC1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F
Isomeric SMILES OC[C@H]1COc2c(O1)cccc2N1CCN(CC1)CCNC(=O)c1ccc(cc1)F
InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)/t18-/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
5957 flesinoxan
Synonyms Click here for help
(+)-flesinoxan | DU-29,373
Database Links Click here for help
Specialist databases
GPCRdb Ligand flesinoxan
Other databases
BindingDB Ligand 50454759
CAS Registry No. 98206-10-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1742477
GtoPdb PubChem SID 135650267
PubChem CID 57347
Search Google for chemical match using the InChIKey NYSDRDDQELAVKP-SFHVURJKSA-N
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UniChem Compound Search for chemical match using the InChIKey NYSDRDDQELAVKP-SFHVURJKSA-N
UniChem Connectivity Search for chemical match using the InChIKey NYSDRDDQELAVKP-SFHVURJKSA-N
Wikipedia Flesinoxan