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CHEBI:747457 - Ro-3306

Default Structure
ChEBI IDCHEBI:747457
ChEBI NameRo-3306
Stars
DefinitionRo-3306 is a potent and selective inhibitor of CDK1, with Kis of 20 nM, 35 nM and 340 nM for CDK1, CDK1/cyclin B1 and CDK2/cyclin E, respectively.
Last Modified19 March 2026
Submittercyan
DownloadsMolfile
FormulaC18H13N3OS2
Net Charge0
Average Mass351.456
Monoisotopic Mass351.05000
SMILESO=C1N=C(NCc2cccs2)S/C1=C\c1ccc2ncccc2c1
InChIInChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-
InChIKeyXOLMRFUGOINFDQ-YBEGLDIGSA-N
ChEBI Ontology
Outgoing Relation(s)
Ro-3306 (CHEBI:747457) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
Registry NumbersSources
CAS:872573-93-8CAS