Metabolite Glasdegib M2
- Name
- Glasdegib M2
- Description
- Not Available
- Structure
Structure for Glasdegib M2
- Synonyms
- Not Available
- UNII
- 68AY89Y84D
- CAS number
- Not Available
- Weight
- Average: 372.432
Monoisotopic: 372.169859288 - Chemical Formula
- C21H20N6O
- InChI Key
- TYBYEUBYYCLFNN-VQIMIIECSA-N
- InChI
- InChI=1S/C21H20N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-11,16,19H,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
- IUPAC Name
- 1-[(2R,4S)-2-(1H-1,3-benzodiazol-2-yl)-1-methyl-1,2,3,4-tetrahydropyridin-4-yl]-3-(4-cyanophenyl)urea
- SMILES
- CN1C=C[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP 2.52 Chemaxon pKa (Strongest Acidic) 11.39 Chemaxon pKa (Strongest Basic) 6.33 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 96.84 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 108.25 m3·mol-1 Chemaxon Polarizability 40.29 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