Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

121888 - Overview - Compound Synopsis

Synonyms
BOSULIFBOSUTINIB
BOSUTINIB MONOHYDRATEBosulif
BosutinibBosutinib Monohydrate
DB8SKI-606
Molecular Formula
C26H29Cl2N5O3
InChI
InChI=1S/C26H29Cl2N5O3/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)
Smiles
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
Cross References
UniChem11972
canSAR121888
PDBe (Protein Data Bank Europe)DB8
ChEMBLCHEMBL288441
BindingDB4552
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 529.1647451485.190381865No


Compounds with the same scaffold


Image of compound ID: 121888
Murko Scaffold Family: 17 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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