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| Ligand Name: 5'-OH-ethyl-5-OP-RU |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1205 |
PubChem:
145946113
|
Synonym(s):
- 6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
- 2'-oh-ethyl-5-op-u
- chebi:149753
- 6-[(2-hydroxyethyl)amino]-5-[(e)-(2-oxopropylidene)amino]uracil
- 6-[(2-hydroxyethyl)amino]-5-[[(1e)-2-oxopropylidene]amino]-2,4(1h,3h)-pyrimidinedione
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NCCO |
| Standard InChI: InChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+ |
| Molecular Formula: C9H12N4O4 |
Mol. Weight: 240.08586 |
logP: -1.2413 |
| HBD: 4 | HBA: 6 |
| #Rotatable Bonds: 5 | TPSA: 127.41 |