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| Ligand Name: 6-cyano-UMP |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB307 |
PubChem:
16666397
|
Synonym(s):
- 6-cyano-ump
- 6-cyano-5'-uridylic acid
- c6-uridine derivative, 6
- 6-cyano-uridine monophosphate
- 6-cyanouridine 5-monophosphate
- chembl512577
- jmc521648 compound 34
- schembl1361913
- bdbm21335
- dtxsid70586583
- q27456328
- [(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- {[(2r,3s,4r,5r)-5-(6-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
show 12 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL512577 |
| Canonical SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |
| Standard InChI: InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1 |
| Molecular Formula: C10H12N3O9P |
Mol. Weight: 349.03113 |
logP: -2.86322 |
| HBD: 5 | HBA: 9 |
| #Rotatable Bonds: 4 | TPSA: 195.1 |