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CHEBI:758583 - cc-90001

Default Structure
ChEBI IDCHEBI:758583
ChEBI Namecc-90001
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC16H27N5O2
Net Charge0
Average Mass321.425
Monoisotopic Mass321.21648
SMILESC[C@@H]1CC[C@@H](Nc2nc(NC(C)(C)C)ncc2C(N)=O)C[C@H]1O
InChIInChI=1S/C16H27N5O2/c1-9-5-6-10(7-12(9)22)19-14-11(13(17)23)8-18-15(20-14)21-16(2,3)4/h8-10,12,22H,5-7H2,1-4H3,(H2,17,23)(H2,18,19,20,21)/t9-,10-,12-/m1/s1
InChIKeyQBBRJRLJWXRSHQ-CKYFFXLPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
cc-90001 (CHEBI:758583) has role antifibrotic agent (CHEBI:233423)
cc-90001 (CHEBI:758583) is a pyrimidinecarboxylic acid (CHEBI:78574)
Synonyms  Source
Cc-90001ChEMBL
CC90001ChEMBL
Citations