Metabolite Copanlisib M1 metabolite
- Name
- Copanlisib M1 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M1 metabolite
- Synonyms
- Not Available
- UNII
- UD5QDA5GMW
- CAS number
- Not Available
- Weight
- Average: 494.512
Monoisotopic: 494.202615969 - Chemical Formula
- C23H26N8O5
- InChI Key
- MRKMXPSMJSHTCR-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H26N8O5/c1-34-19-16(36-9-2-6-30-8-10-35-13-17(30)32)4-3-15-18(19)28-23(31-7-5-25-20(15)31)29-21(33)14-11-26-22(24)27-12-14/h3-4,11-12H,2,5-10,13H2,1H3,(H2,24,26,27)(H,28,29,33)
- IUPAC Name
- 2-amino-N-{7-methoxy-8-[3-(3-oxomorpholin-4-yl)propoxy]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide
- SMILES
- COC1=C(OCCCN2CCOCC2=O)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -0.71 Chemaxon pKa (Strongest Acidic) 10.16 Chemaxon pKa (Strongest Basic) 7.38 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 156.86 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 132.46 m3·mol-1 Chemaxon Polarizability 51.52 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon