 |
| Ligand Name: 4'OH-Butyl-5-OP-U |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1251 |
PubChem:
145946120
|
Synonym(s):
- 6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
- 4'-oh-butyl-5-op-u
- chebi:149748
- 6-[(4-hydroxybutyl)amino]-5-[(e)-(2-oxopropylidene)amino]uracil
- 6-[(4-hydroxybutyl)amino]-5-[[(1e)-2-oxopropylidene]amino]-2,4(1h,3h)-pyrimidinedione
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NCCCCO |
| Standard InChI: InChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+ |
| Molecular Formula: C11H16N4O4 |
Mol. Weight: 268.11716 |
logP: -0.4611 |
| HBD: 4 | HBA: 6 |
| #Rotatable Bonds: 7 | TPSA: 127.41 |