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| Ligand Name: 5-OP-RU |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB145 |
PubChem:
86289574
|
Synonym(s):
- 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil
- schembl17144791
- schembl19176720
- chebi:78398
- zinc97654293
- 5-(2-oxopropylideneamino)-6-(d-ribitylamino)uracil
- q27147804
- 5-(2-oxopropylideneamino)-6-[[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]amino]uracil
- 1-deoxy-1-({2,6-dioxo-5-[(ee)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-ribitol
- 1610526-18-5
- 5-((2-oxopropylidene)amino)-6-(((2s,3s,4r)-2,3,4,5-tetrahydroxypentyl)amino)pyrimidine-2,4(1h,3h)-dione
show 10 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NC[C@H](O)[C@H](O)[C@H](O)CO |
| Standard InChI: InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1 |
| Molecular Formula: C12H18N4O7 |
Mol. Weight: 330.11755 |
logP: -3.1586 |
| HBD: 7 | HBA: 9 |
| #Rotatable Bonds: 8 | TPSA: 188.1 |