EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:112837 - 1-cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea

ChEBI IDCHEBI:112837
ChEBI Name1-cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
Stars
DownloadsMolfile
FormulaC25H36N4OS
Net Charge0
Average Mass440.657
Monoisotopic Mass440.26098
SMILESCC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H36N4OS/c1-20(26-25(30)27-22-11-6-3-7-12-22)24(23-13-8-18-31-23)29-16-14-28(15-17-29)19-21-9-4-2-5-10-21/h2,4-5,8-10,13,18,20,22,24H,3,6-7,11-12,14-17,19H2,1H3,(H2,26,27,30)
InChIKeyZVJFLTLRDFVZJN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea (CHEBI:112837) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-24247LINCS