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| Ligand Name: N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB314 |
PubChem:
122490483
|
Synonym(s):
- chembl3885166
- schembl18018785
- bdbm50209762
- cpt-1691; n-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
- n-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL3885166 |
| Canonical SMILES: CN1CCN(CC1)c1ccc(Nc2nc(Oc3ccc(NC(=O)C=C)cc3)c3cc[nH]c3n2)cc1 |
| Standard InChI: InChI=1S/C26H27N7O2/c1-3-23(34)28-18-6-10-21(11-7-18)35-25-22-12-13-27-24(22)30-26(31-25)29-19-4-8-20(9-5-19)33-16-14-32(2)15-17-33/h3-13H,1,14-17H2,2H3,(H,28,34)(H2,27,29,30,31) |
| Molecular Formula: C26H27N7O2 |
Mol. Weight: 469.22263 |
logP: 4.3701 |
| HBD: 3 | HBA: 7 |
| #Rotatable Bonds: 7 | TPSA: 98.41 |