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| Ligand Name: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1206 |
PubChem:
118708722
|
| Synonym(s):
show 1 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL3318211 |
| Canonical SMILES: O=Cc1cccc(c1)-c([nH]2)c(C#N)c(c23)c(N)nc(n3)N |
| Standard InChI: InChI=1S/C14H10N6O/c15-5-9-10-12(16)19-14(17)20-13(10)18-11(9)8-3-1-2-7(4-8)6-21/h1-4,6H,(H5,16,17,18,19,20) |
| Molecular Formula: C14H10N6O |
Mol. Weight: 278.0916 |
logP: 1.47348 |
| HBD: 3 | HBA: 6 |
| #Rotatable Bonds: 2 | TPSA: 134.47 |