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CHEBI:757075 - rocacetrapib

Default Structure
ChEBI IDCHEBI:757075
ChEBI Namerocacetrapib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H34F7NO3
Net Charge0
Average Mass601.603
Monoisotopic Mass601.24269
SMILESCOc1cc(F)c(C(C)C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1
InChIInChI=1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1
InChIKeyGBHPDJQHZADVAA-SOKVYYICSA-N
ChEBI Ontology
Outgoing Relation(s)
rocacetrapib (CHEBI:757075) is a (trifluoromethyl)benzenes (CHEBI:83565)
INN  Source
rocacetrapibWHO MedNet
Synonym  Source
CKD-519ChEMBL