alniditan   Click here for help

GtoPdb Ligand ID: 120

Synonyms: R-91274
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 57.68
Molecular weight 302.21
XLogP 2.17
No. Lipinski's rules broken 0
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Canonical SMILES C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1
Isomeric SMILES C(NC[C@H]1CCc2c(O1)cccc2)CCNC1=NCCCN1
InChI InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/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
7258 alniditan
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand alniditan
Other databases
CAS Registry No. 152317-89-0 (source: Scifinder)
ChEMBL Ligand CHEMBL88240
GtoPdb PubChem SID 135649920
PubChem CID 66004
Search Google for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Search Google for chemicals with the same backbone QVSXOXCYXPQXMF
Search PubMed clinical trials alniditan
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UniChem Compound Search for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
UniChem Connectivity Search for chemical match using the InChIKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Wikipedia Alniditan