 |
| Ligand Name: (2E)-2-[(E)-(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB222 |
PubChem:
89216860
|
Synonym(s):
- (r,e)-2-(3-(4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile
- chembl4212697
- schembl13978220
- us9572811, example 3
- bdbm290128
- (r)-2-(3-(4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile
show 5 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4212697 |
| Canonical SMILES: CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H](C1)n2nc(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5 |
| Standard InChI: InChI=1S/C30H31N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,16,19,22H,7-8,15,18H2,1-3H3,(H2,32,33,34)/b21-16+/t22-/m1/s1 |
| Molecular Formula: C30H31N7O2 |
Mol. Weight: 521.2539 |
logP: 5.52738 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 5 | TPSA: 122.95 |