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| Ligand Name: 2'D-5-OP-RU |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1254 |
PubChem:
145946124
|
Synonym(s):
- 1,2-dideoxy-1-({2,6-dioxo-5-[(e)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-d-erythro-pentitol
- 2'-d-5-op-ru
- chebi:149751
- 6-[(1,2-dideoxy-d-ribityl)amino]-5-[(e)-(2-oxopropylidene)amino]uracil
- 1,2-dideoxy-1-[[1,2,3,6-tetrahydro-2,6-dioxo-5-[[(1e)-2-oxopropylidene]amino]-4-pyrimidinyl]amino]-d-erythro-pentitol
show 4 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=N/c1c([nH]c(=O)[nH]c1=O)NCC[C@H](O)[C@H](O)CO |
| Standard InChI: InChI=1S/C12H18N4O6/c1-6(18)4-14-9-10(15-12(22)16-11(9)21)13-3-2-7(19)8(20)5-17/h4,7-8,17,19-20H,2-3,5H2,1H3,(H3,13,15,16,21,22)/b14-4+/t7-,8+/m0/s1 |
| Molecular Formula: C12H18N4O6 |
Mol. Weight: 314.12262 |
logP: -2.1294 |
| HBD: 6 | HBA: 8 |
| #Rotatable Bonds: 8 | TPSA: 167.87 |