S30
2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
Find entries where: S30
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
| Identifiers | 2-[[4-amino-3-(3-hydroxyprop-1-ynyl)pyrazolo[4,5-e]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one |
| Formula | C25 H21 N7 O2 |
| Molecular Weight | 451.48 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N |
| InChI | InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28) |
| InChIKey | GJBJSDBBRWPDBE-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 55 |
| Chiral Atom Count | 0 |
| Bond Count | 59 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1213116 |
| PubChem | 44475987 |
| ChEMBL | CHEMBL1213116 |
