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| Ligand Name: N-(3-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}phenyl)prop-2-enamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB370 |
PubChem:
132277003
|
Synonym(s):
- chembl4085582
- bdbm50501537
- n-(3-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)acrylamide
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL4085582 |
| Canonical SMILES: C=CC(=O)Nc1cccc(c1)-c2ncnc(c23)[nH]cc3 |
| Standard InChI: InChI=1S/C15H12N4O/c1-2-13(20)19-11-5-3-4-10(8-11)14-12-6-7-16-15(12)18-9-17-14/h2-9H,1H2,(H,19,20)(H,16,17,18) |
| Molecular Formula: C15H12N4O |
Mol. Weight: 264.1011 |
logP: 2.7494 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 70.67 |