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CHEBI:755139 - dagrocorat

Default Structure
ChEBI IDCHEBI:755139
ChEBI Namedagrocorat
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC29H29F3N2O2
Net Charge0
Average Mass494.557
Monoisotopic Mass494.21811
SMILESCc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1
InChIInChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
InChIKeyQJJBNCHSWFGXML-KEKPKEOLSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
dagrocorat (CHEBI:755139) is a phenanthrenes (CHEBI:25961)
INN  Source
dagrocoratWHO MedNet
Synonyms  Source
PF-00251802ChEMBL
PF-0251802ChEMBL
PF-802ChEMBL
Citations