upidosin   Click here for help

GtoPdb Ligand ID: 496

Synonyms: Rec 15/2739 | SB 216469
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 9
Topological polar surface area 75.02
Molecular weight 511.25
XLogP 6.57
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCCNC(=O)c1cccc2c1oc(c1ccccc1)c(c2=O)C
InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
InChI Key DUCNHKDCVVSJLG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
International Nonproprietary Names Click here for help
INN number INN
7731 upidosin
Synonyms Click here for help
Rec 15/2739 | SB 216469
Database Links Click here for help
BindingDB Ligand 50057465
CAS Registry No. 152735-23-4
ChEMBL Ligand CHEMBL278865
GtoPdb PubChem SID 135650891
PubChem CID 148842
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