EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79978 - PD 123177

Default Structure
ChEBI IDCHEBI:79978
ChEBI NamePD 123177
Stars
DownloadsMolfile
FormulaC29H28N4O3
Net Charge0
Average Mass480.568
Monoisotopic Mass480.21614
SMILESCc1cc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N
InChIInChI=1S/C29H28N4O3/c1-19-14-20(12-13-23(19)30)16-32-18-31-24-17-33(26(29(35)36)15-25(24)32)28(34)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-14,18,26-27H,15-17,30H2,1H3,(H,35,36)
InChIKeyKLVDUSUYBDMJKR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
PD 123177 (CHEBI:79978) is a diarylmethane (CHEBI:51614)
Manual XrefsDatabases
C15552KEGG COMPOUND
Registry NumbersSources
CAS:114785-12-5KEGG COMPOUND