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| Ligand Name: 3'OH-Propyl-5-OP-U |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1252 |
PubChem:
145946121
|
Synonym(s):
- 6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]pyrimidine-2,4(1h,3h)-dione
- 3'-oh-propyl-5-op-u
- chebi:149757
- 6-[(3-hydroxypropyl)amino]-5-[(e)-(2-oxopropylidene)amino]uracil
- 6-[(3-hydroxypropyl)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)NCCCO |
| Standard InChI: InChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+ |
| Molecular Formula: C10H14N4O4 |
Mol. Weight: 254.1015 |
logP: -0.8512 |
| HBD: 4 | HBA: 6 |
| #Rotatable Bonds: 6 | TPSA: 127.41 |