SB 203186   

GtoPdb Ligand ID: 255

Synonyms: SB-203186
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 45.33
Molecular weight 272.15
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1
Isomeric SMILES O=C(c1c[nH]c2c1cccc2)OCCN1CCCCC1
InChI InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
InChI Key YGKPIROTKVQCCU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-piperidin-1-ylethyl 1H-indole-3-carboxylate
Synonyms
SB-203186
Database Links
ChEMBL Ligand CHEMBL1255781
GtoPdb PubChem SID 135650982
PubChem CID 3272300
Search Google for chemical match using the InChIKey YGKPIROTKVQCCU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YGKPIROTKVQCCU
Search UniChem for chemical match using the InChIKey YGKPIROTKVQCCU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YGKPIROTKVQCCU