 |
| Ligand Name: JYM72 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1204 |
PubChem:
118429016
|
Synonym(s):
- 1,2-dideoxy-1-{2,6-dioxo-5-[(1e)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-d-ribo-hexitol
- schembl17154356
- chebi:149716
- 6-[(1-deoxy-d-ribityl)methyl]-5-[(1e)-3-oxobut-1-en-1-yl]uracil
- 1,2-dideoxy-1-[1,2,3,6-tetrahydro-2,6-dioxo-5-[(1e)-3-oxo-1-buten-1-yl]-4-pyrimidinyl]-d-ribo-hexitol
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=C/c1c([nH]c(=O)[nH]c1=O)CC[C@H](O)[C@H](O)[C@H](O)CO |
| Standard InChI: InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1 |
| Molecular Formula: C14H20N2O7 |
Mol. Weight: 328.12704 |
logP: -2.327 |
| HBD: 6 | HBA: 7 |
| #Rotatable Bonds: 8 | TPSA: 163.71 |