EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:234387 - AR-C155858

ChEBI IDCHEBI:234387
ChEBI NameAR-C155858
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC21H27N5O5S
Net Charge0
Average Mass461.544
Monoisotopic Mass461.17329
SMILES[H][C@@]1(O)CON(C(=O)c2c(Cc3c(C)nnc3C)sc3c2c(=O)n(C)c(=O)n3CC(C)C)C1
InChIInChI=1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
InChIKeyISIVOJWVBJIOFM-ZDUSSCGKSA-N
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
AR-C155858 (CHEBI:234387) has role inhibitor (CHEBI:35222)
AR-C155858 (CHEBI:234387) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
Registry NumbersSources
CAS:496791-37-8SUBMITTER
Citations