Metabolite AZ-5104
- Name
- AZ-5104
- Description
- Not Available
- Structure
Structure for AZ-5104
- Synonyms
- Not Available
- External IDs
- AZ 5104 / AZ-5104 / AZ5104
- UNII
- 2DWZ6SE1E1
- CAS number
- 1421373-98-9
- Weight
- Average: 485.592
Monoisotopic: 485.253923266 - Chemical Formula
- C27H31N7O2
- InChI Key
- IQNVEOMHJHBNHC-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)
- IUPAC Name
- SMILES
- COC1=C(NC2=NC=CC(=N2)C2=CNC3=CC=CC=C23)C=C(\N=C(/O)C=C)C(=C1)N(C)CCN(C)C
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0248754
- ChemSpider
- 34564999
- BindingDB
- 50029689
- ChEMBL
- CHEMBL3353411
- ZINC
- ZINC000147059673
- PDBe Ligand
- VO7
- Predicted Properties
Property Value Source