COVPDB

Ligand

Ligand Name: 5-NO2dUMP
Ligand Type: DNA linking
Ligand ID: COVPDB1141	PubChem: 149015
Synonym(s): unii-m5xxz2mq75 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) m5xxz2mq75 5-nitro-2'-deoxyuridylic acid chembl1234672 63689-79-2 5-nitro-2'-deoxyuridylate schembl9590644 dtxsid30213085 bdbm50010241 5'-uridylic acid, 2'-deoxy-5-nitro- [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate 2'-deoxy-5-nitrouridine 5'-phosphoric acid q27283526 q27463760 [(2r,3s,5r)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate ndn show 16 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1234672
Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O
Standard InChI: InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
Molecular Formula: C9H12N3O10P	Mol. Weight: 353.02603	logP: -1.7975
HBD: 4	HBA: 9
#Rotatable Bonds: 5	TPSA: 194.22