633552

Source:http://linkedlifedata.com/resource/chembl/compound/633552

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H7N3O3S/c14-9(7-4-2-1-3-5-7)12-10-11-6-8(17-10)13(15)16/h1-6H,(H,11,12,14)
chemicalCompound:standardIn...	TYUHMMUUMWZPDB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cnc(NC(=O)c2ccccc2)s1
chemicalCompound:molecularF...	C10H7N3O3S
chemicalCompound:moleculeId	633552
chemicalCompound:mwFreebase	249.246
chemicalCompound:alogp	1.63
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	116.04
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.295
chemicalCompound:acdLogP	3.199
chemicalCompound:acdLogD	2.113
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	249.246
chemicalCompound:chemblId	CHEMBL1082352
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733552
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:3303003, activity:3303018, activity:3303033, activity:3303048