Metabolite Momelotinib M19 metabolite
- Name
- Momelotinib M19 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M19 metabolite
- Synonyms
- Not Available
- UNII
- TV28NF837I
- CAS number
- Not Available
- Weight
- Average: 376.416
Monoisotopic: 376.15354052 - Chemical Formula
- C21H20N4O3
- InChI Key
- VYXONEXRZMHYRY-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H20N4O3/c26-20(27)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)25-11-13-28-14-12-25/h1-10H,11-14H2,(H,26,27)(H,22,23,24)
- IUPAC Name
- 4-(2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzoic acid
- SMILES
- OC(=O)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 29211782
- ZINC
- ZINC000095080280
- Predicted Properties
Property Value Source logP 3.55 Chemaxon pKa (Strongest Acidic) 3.94 Chemaxon pKa (Strongest Basic) 2.58 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.58 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 106.68 m3·mol-1 Chemaxon Polarizability 39.65 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon