piboserod   

GtoPdb Ligand ID: 225

Synonyms: SB 207256 | SB 207266 | SB 207266-A | SB207256
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 46.5
Molecular weight 369.24
XLogP 5.48
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2
Isomeric SMILES CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2
InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
InChI Key KVCSJPATKXABRQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
International Nonproprietary Names
INN number INN
7587 piboserod
Synonyms
SB 207256 | SB 207266 | SB 207266-A | SB207256
Database Links
CAS Registry No. 152811-62-6 (source: Scifinder)
ChEMBL Ligand CHEMBL356359
GtoPdb PubChem SID 135650823
PubChem CID 177336
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Wikipedia Piboserod