633626

Source:http://linkedlifedata.com/resource/chembl/compound/633626

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C8H5N3O4S/c12-7(5-1-2-15-4-5)10-8-9-3-6(16-8)11(13)14/h1-4H,(H,9,10,12)
chemicalCompound:standardIn...	KGPMZTJTZUAJHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cnc(NC(=O)c2cocc2)s1
chemicalCompound:molecularF...	C8H5N3O4S
chemicalCompound:moleculeId	633626
chemicalCompound:mwFreebase	239.208
chemicalCompound:alogp	0.734
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	129.19
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.542
chemicalCompound:acdLogP	2.926
chemicalCompound:acdLogD	2.041
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	239.208
chemicalCompound:chemblId	CHEMBL1085245
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733626
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3303006, activity:3303021, activity:3303036, activity:3303051