1275498

Source:http://linkedlifedata.com/resource/chembl/compound/1275498

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/C10H6ClN3O4S/c11-5-1-2-7(15)6(3-5)9(16)13-10-12-4-8(19-10)14(17)18/h1-4,15H,(H,12,13,16)
chemicalCompound:standardIn...	NAPBKEBURAGAFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(Cl)cc1C(=O)Nc2ncc(s2)[N+](=O)[O-]
chemicalCompound:molecularF...	C10H6ClN3O4S
chemicalCompound:moleculeId	1275498
chemicalCompound:mwFreebase	299.69
chemicalCompound:alogp	2.053
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	136.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.329
chemicalCompound:acdLogP	4.426
chemicalCompound:acdLogD	3.138
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	299.69
chemicalCompound:chemblId	CHEMBL1940642
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1375498
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:8005736, activity:8006449, activity:8006484, activity:8006518