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CHEBI:759873 - frespaciguat

Default Structure
ChEBI IDCHEBI:759873
ChEBI Namefrespaciguat
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H22ClF5N6O3
Net Charge0
Average Mass608.955
Monoisotopic Mass608.13621
SMILESC[C@@]1(c2ccc(CCC(=O)O)cc2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4cc(Cl)ccc34)nc(N)c21
InChIInChI=1S/C27H22ClF5N6O3/c1-25(14-5-2-13(3-6-14)4-9-18(40)41)19-21(34)35-23(36-22(19)37-24(25)42)20-16-8-7-15(28)12-17(16)39(38-20)11-10-26(29,30)27(31,32)33/h2-3,5-8,12H,4,9-11H2,1H3,(H,40,41)(H3,34,35,36,37,42)/t25-/m0/s1
InChIKeyBAFUFNSAYGCZIC-VWLOTQADSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
frespaciguat (CHEBI:759873) is a benzenes (CHEBI:22712)
frespaciguat (CHEBI:759873) is a monocarboxylic acid (CHEBI:25384)
INN  Source
frespaciguatWHO MedNet
Synonym  Source
MK5475ChEMBL