Metabolite Oxydechlorinated bosutinib
- Name
- Oxydechlorinated bosutinib
- Description
- Not Available
- Structure
Structure for Oxydechlorinated bosutinib
- Synonyms
- Not Available
- UNII
- ESC667086F
- CAS number
- Not Available
- Weight
- Average: 512.01
Monoisotopic: 511.1986322 - Chemical Formula
- C26H30ClN5O4
- InChI Key
- OFBQZZFEXFRYQW-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H30ClN5O4/c1-31-6-8-32(9-7-31)5-4-10-36-25-13-20-18(11-24(25)35-3)26(17(15-28)16-29-20)30-21-14-23(34-2)22(33)12-19(21)27/h11-14,16,33H,4-10H2,1-3H3,(H,29,30)
- IUPAC Name
- 4-[(2-chloro-4-hydroxy-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
- SMILES
- COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 68007040
- Predicted Properties
Property Value Source logP 3.03 Chemaxon pKa (Strongest Acidic) 9.92 Chemaxon pKa (Strongest Basic) 8.41 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.11 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 139.3 m3·mol-1 Chemaxon Polarizability 54.72 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon