POX
4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime
Find entries where: POX
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime |
| Identifiers | N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-2-methoxyethoxyiminomethyl]pyrimidine-4,6-diamine |
| Formula | C22 H22 F N7 O2 |
| Molecular Weight | 435.454 |
| Type | NON-POLYMER |
| Isomeric SMILES | COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N |
| InChI | InChI=1S/C22H22FN7O2/c1-31-7-8-32-28-12-19-21(24)25-14-26-22(19)29-18-5-6-20-16(10-18)11-27-30(20)13-15-3-2-4-17(23)9-15/h2-6,9-12,14H,7-8,13H2,1H3,(H3,24,25,26,29)/b28-12+ |
| InChIKey | KSGYKTRNRCPDHT-KVSWJAHQSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 0 |
| Bond Count | 57 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL255237 |
| PubChem | 17747343 |
| ChEMBL | CHEMBL255237 |
