mosapride   

GtoPdb Ligand ID: 242

mosapride is an approved drug
Compound class: Synthetic organic
Comment: Marketed formulations contain mosapride citrate (PubChem CID 119583).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 76.82
Molecular weight 421.16
XLogP 2.93
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl
Isomeric SMILES CCOc1cc(N)c(cc1C(=O)NCC1OCCN(C1)Cc1ccc(cc1)F)Cl
InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChI Key YPELFRMCRYSPKZ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
International Nonproprietary Names
INN number INN
6855 mosapride
Database Links
BindingDB Ligand 50011327
CAS Registry No. 112885-41-3 (source: Scifinder)
ChEMBL Ligand CHEMBL60889
DrugCentral Ligand 1848
GtoPdb PubChem SID 135650625
PubChem CID 119584
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Search UniChem for chemicals with the same backbone YPELFRMCRYSPKZ
Wikipedia Mosapride