633628

Source:http://linkedlifedata.com/resource/chembl/compound/633628

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/C10H6ClN3O3S/c11-7-9(14(16)17)18-10(12-7)13-8(15)6-4-2-1-3-5-6/h1-5H,(H,12,13,15)
chemicalCompound:standardIn...	HXMWVTCZBUHELV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1sc(NC(=O)c2ccccc2)nc1Cl
chemicalCompound:molecularF...	C10H6ClN3O3S
chemicalCompound:moleculeId	633628
chemicalCompound:mwFreebase	283.691
chemicalCompound:alogp	2.504
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	116.04
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.623
chemicalCompound:acdLogP	3.785
chemicalCompound:acdLogD	2.205
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	283.691
chemicalCompound:chemblId	CHEMBL1085247
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733628
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:3303008, activity:3303023, activity:3303038, activity:3303053