 |
| Ligand Name: 5'-OH-pentyl-5-OP-RU |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1202 |
PubChem:
144935291
|
Synonym(s):
- chebi:149728
- 6-[(5-hydroxypentyl)amino]-5-[(e)-(2-oxopropylidene)amino]uracil
- 6-[(5-hydroxypentyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
- 6-[(5-hydroxypentyl)amino]-5-[[(1e)-2-oxopropylidene]amino]-2,4(1h,3h)-pyrimidinedione
show 3 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NCCCCCO |
| Standard InChI: InChI=1S/C12H18N4O4/c1-8(18)7-14-9-10(13-5-3-2-4-6-17)15-12(20)16-11(9)19/h7,17H,2-6H2,1H3,(H3,13,15,16,19,20)/b14-7+ |
| Molecular Formula: C12H18N4O4 |
Mol. Weight: 282.1328 |
logP: -0.071 |
| HBD: 4 | HBA: 6 |
| #Rotatable Bonds: 8 | TPSA: 127.41 |