Metabolite Copanlisib M2 metabolite
- Name
- Copanlisib M2 metabolite
- Description
- Not Available
- Structure
Structure for Copanlisib M2 metabolite
- Synonyms
- Not Available
- UNII
- 7D3BZM3BQN
- CAS number
- Not Available
- Weight
- Average: 425.405
Monoisotopic: 425.14476674 - Chemical Formula
- C19H19N7O5
- InChI Key
- KLKBHUCDAFIIPT-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H19N7O5/c1-30-15-12(31-7-4-13(27)28)3-2-11-14(15)24-19(26-6-5-21-16(11)26)25-17(29)10-8-22-18(20)23-9-10/h2-3,8-9H,4-7H2,1H3,(H,27,28)(H2,20,22,23)(H,24,25,29)
- IUPAC Name
- 3-{[5-(2-aminopyrimidine-5-amido)-7-methoxy-2H,3H-imidazo[1,2-c]quinazolin-8-yl]oxy}propanoic acid
- SMILES
- COC1=C(OCCC(O)=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 -1.6 Chemaxon pKa (Strongest Acidic) 3.13 Chemaxon pKa (Strongest Basic) 7.38 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 164.62 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 111.6 m3·mol-1 Chemaxon Polarizability 42.91 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