| chemicalCompound:112419 | rdf:type | chembl:ChemicalCompound | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:standardIn... | InChI=1S/C7H4N2O2/c8-9-6-3-1-2-5(4-6)7(10)11/h1-4H | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:standardIn... | JGDVEGYTXVVWGW-UHFFFAOYSA-N | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:canonicalS... | [O-]C(=O)c1cccc(c1)[N+]#N | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:molecularF... | C7 H4 N2 O2 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:moleculeId | 112419 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:mwFreebase | 148.119 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:alogp | 0.104 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:hba | 3 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:hbd | 0 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:psa | 68.28 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:rtb | 1 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:ro3Pass | N | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:numRo5viol... | 0 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:medChemFri... | Y | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:acdMostApk... | 2.442 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:molecularS... | molecularSpecies:ACID | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:fullMwt | 148.119 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:chemblId | CHEMBL71197 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:maxPhase | 0 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:therapeuti... | 0 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:dosedIngre... | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:structureT... | structureType:MOL | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:chebi | https://linkedlifedata.com/... | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:moleculeTy... | moleculeType:Small molecule | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:oral | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:parenteral | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:topical | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:blackBoxWa... | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:naturalPro... | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:proDrug | No | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:activity | activity:629034 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:activity | activity:629035 | lld:chembl |
| chemicalCompound:112419 | chemicalCompound:activity | activity:629036 | lld:chembl |
| http://linkedlifedata.com/r... | http://linkedlifedata.com/r... | chemicalCompound:112419 | lld:chembl |
