Ligand |
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| Ligand Name: 4-amino-2-[(3S)-3-(prop-2-enamido)pyrrolidin-1-yl]pyrimidine-5-carboxamide | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB867 | PubChem: 118038061 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4287216 | |
| Canonical SMILES: NC(=O)c1cnc(nc1N)N2CC[C@@H](C2)NC(=O)C=C | ||
| Standard InChI: InChI=1S/C12H16N6O2/c1-2-9(19)16-7-3-4-18(6-7)12-15-5-8(11(14)20)10(13)17-12/h2,5,7H,1,3-4,6H2,(H2,14,20)(H,16,19)(H2,13,15,17)/t7-/m0/s1 | ||
| Molecular Formula: C12H16N6O2 | Mol. Weight: 276.13348 | logP: -0.9614 |
| HBD: 3 | HBA: 6 | |
| #Rotatable Bonds: 4 | TPSA: 127.23 | |