Metabolite Momelotinib M14 metabolite
- Name
- Momelotinib M14 metabolite
- Description
- Not Available
- Structure
Structure for Momelotinib M14 metabolite
- Synonyms
- Not Available
- UNII
- U2VN75VM3A
- CAS number
- Not Available
- Weight
- Average: 390.399
Monoisotopic: 390.132805076 - Chemical Formula
- C21H18N4O4
- InChI Key
- LJAVNKYBUKZOTK-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H18N4O4/c26-19-13-29-12-11-25(19)17-7-5-16(6-8-17)23-21-22-10-9-18(24-21)14-1-3-15(4-2-14)20(27)28/h1-10H,11-13H2,(H,27,28)(H,22,23,24)
- IUPAC Name
- 4-(2-{[4-(3-oxomorpholin-4-yl)phenyl]amino}pyrimidin-4-yl)benzoic acid
- SMILES
- OC(=O)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C2)N2CCOCC2=O)=NC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.62 Chemaxon pKa (Strongest Acidic) 3.93 Chemaxon pKa (Strongest Basic) 1.92 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 104.65 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 105.64 m3·mol-1 Chemaxon Polarizability 39.9 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