amesergide   Click here for help

GtoPdb Ligand ID: 199

Synonyms: LY-237733 | LY237733
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.27
Molecular weight 393.28
XLogP 4.4
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
Isomeric SMILES O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/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
6937 amesergide
Synonyms Click here for help
LY-237733 | LY237733
Database Links Click here for help
Specialist databases
GPCRdb Ligand amesergide
Other databases
CAS Registry No. 121588-75-8 (source: Scifinder)
ChEMBL Ligand CHEMBL160293
GtoPdb PubChem SID 135649933
PubChem CID 9821951
Search Google for chemical match using the InChIKey KEMOOQHMCGCZKH-JMUQELJHSA-N
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UniChem Compound Search for chemical match using the InChIKey KEMOOQHMCGCZKH-JMUQELJHSA-N
UniChem Connectivity Search for chemical match using the InChIKey KEMOOQHMCGCZKH-JMUQELJHSA-N