COVPDB

Ligand

Ligand Name: FOBISIN101
Ligand Type: non-polymer
Ligand ID: COVPDB195	PubChem: 5052387
Synonym(s): mrs2159 chembl119235 mrs-2159 4-[(e)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid 4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzoic acid 219554-18-4 lopac0_000780 chembl1617474 schembl14702229 schembl21033370 gtpl11231 dtxsid601017383 zinc4392984 bdbm50102295 ccg-208810 4-[(2z)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzoic acid q27454060 4-(4-formyl-5-hydroxy-6-methyl-3-phosphonooxymethyl-pyridin-2-ylazo)-benzoic acid 4-[(4-formyl-5hydroxy-6-methyl-3-[(phosphonooxy)methyl}-2-pyridinyl)azo]benzoic acid show 18 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: Cc1nc(\N=N\c2ccc(cc2)C(O)=O)c(COP(O)(O)=O)c(C=O)c1O
Standard InChI: InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+
Molecular Formula: C15H14N3O8P	Mol. Weight: 395.05185	logP: 2.63102
HBD: 4	HBA: 8
#Rotatable Bonds: 7	TPSA: 178.97