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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals biochemical uses [CHEBI:52206] (3306) enzyme inhibitor [CHEBI:23924] (825) protein kinase inhibitor [CHEBI:37699] (69) tyrosine kinase inhibitor [CHEBI:38637] (38) bosutinib hydrate [CHEBI:68533] (1) 05. Industrial Uses 05. Industrial Uses pharmaceutical [CHEBI:52217] (1978) drug [CHEBI:23888] (1930) antineoplastic agent [CHEBI:35610] (760) bosutinib hydrate [CHEBI:68533] (1) 08. Chemical Category 08. Chemical Category polyatomic entity [CHEBI:36357] (18777) heteroatomic molecular entity [CHEBI:37577] (13672) addition compound [CHEBI:35504] (113) hydrate [CHEBI:35505] (111) bosutinib hydrate [CHEBI:68533] (1) ChEBI Compound Accession Identifier: [CHEBI:68533] ChEBI Compound Description: A hydrate that is the monohydrate form of anhydrous bosutinib. ChEBI Compound Identification Number: 68533 ChEBI InChI Value: "InChI=1S/C26H29Cl2N5O3.H2O/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27;/h11-14,16H,4-10H2,1-3H3,(H,30,31);1H2" ChEBI InChIKey Value: BXPOSPOKHGNMEP-UHFFFAOYSA-N ChEBI Compound Name: bosutinib hydrate ChEBI SMILES Value: O.COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl ChEBI Substance ID: 160645775 ChEBI URL: ChEBI:68533 ChemSpider ID: NS Ontomatica Chemical Accession Key (OnChAKey): BXPOSPOKHGNMEP_UHFFFAOYSA_N_000_000000 PubChem Compound ID: 11990828
