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CHEBI:230502 - TMP778

Default Structure
ChEBI IDCHEBI:230502
ChEBI NameTMP778
Stars
DefinitionTMP778 is a potent and selective RORgt inverse agonist.
Submitterdelphine
DownloadsMolfile
FormulaC31H30N2O4
Net Charge0
Average Mass494.591
Monoisotopic Mass494.22056
SMILESCc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@@H](O)c4c(C)noc4C)cc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H30N2O4/c1-18-10-12-25(19(2)14-18)30(23-8-6-5-7-9-23)32-28(34)16-22-11-13-26-24(15-22)17-27(36-26)31(35)29-20(3)33-37-21(29)4/h5-15,17,30-31,35H,16H2,1-4H3,(H,32,34)/t30-,31+/m0/s1
InChIKeyDIURRJOJDQOMFC-IOWSJCHKSA-N
ChEBI Ontology
Outgoing Relation(s)
TMP778 (CHEBI:230502) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1422053-04-0SUBMITTER