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CHEBI:232850 - BI-831266

ChEBI IDCHEBI:232850
ChEBI NameBI-831266
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC27H38ClN7O2
Net Charge0
Average Mass528.101
Monoisotopic Mass527.27755
SMILES[H][C@@]1(/N=c2/nc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)ncc2Cl)CCC[C@]1([H])/C(O)=N/C(C)C
InChIInChI=1S/C27H38ClN7O2/c1-17(2)30-25(36)21-6-5-7-23(21)32-24-22(28)16-29-27(33-24)31-19-10-8-18(9-11-19)26(37)35(4)20-12-14-34(3)15-13-20/h8-11,16-17,20-21,23H,5-7,12-15H2,1-4H3,(H,30,36)(H2,29,31,32,33)/t21-,23+/m0/s1
InChIKeyBFQXKVQNLASVSU-JTHBVZDNSA-N
Roles Classification
Biological Role:
inhibitor  A substance that diminishes the rate of a chemical reaction.
ChEBI Ontology
Outgoing Relation(s)
BI-831266 (CHEBI:232850) has role inhibitor (CHEBI:35222)
BI-831266 (CHEBI:232850) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4-[[5-chloro-4-[[(1R,2S)-2-(propan-2-ylcarbamoyl)cyclopentyl]amino]pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
Citations