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CHEBI:230507 - ARV-825

Default Structure
ChEBI IDCHEBI:230507
ChEBI NameARV-825
Stars
DefinitionARV-825 is a PROTAC connected by ligands for Cereblon and BRD4. ARV-825 binds to BD1 and BD2 of BRD4.
Submitterdelphine
DownloadsMolfile
FormulaC46H47ClN8O9S
Net Charge0
Average Mass923.449
Monoisotopic Mass922.28752
SMILESCc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(OCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cc1)c1nnc(C)n1-2
InChIInChI=1S/C46H47ClN8O9S/c1-26-27(2)65-46-39(26)41(29-7-9-30(47)10-8-29)50-35(42-53-52-28(3)54(42)46)25-38(57)49-31-11-13-32(14-12-31)64-24-23-63-22-21-62-20-19-61-18-17-48-34-6-4-5-33-40(34)45(60)55(44(33)59)36-15-16-37(56)51-43(36)58/h4-14,35-36,48H,15-25H2,1-3H3,(H,49,57)(H,51,56,58)/t35-,36?/m0/s1
InChIKeyRWLOGRLTDKDANT-TYIYNAFKSA-N
ChEBI Ontology
Outgoing Relation(s)
ARV-825 (CHEBI:230507) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1818885-28-7SUBMITTER