910168

Source:http://linkedlifedata.com/resource/chembl/compound/910168

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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/C15H12FN3O3S/c16-10-4-5-14-11(9-10)12(6-8-23(14,21)22)18-19-15(20)13-3-1-2-7-17-13/h1-5,7,9H,6,8H2,(H,19,20)
chemicalCompound:standardIn...	LFGHCVUTBZBFCN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc2c(c1)C(=NNC(=O)c3ccccn3)CCS2(=O)=O
chemicalCompound:molecularF...	C15H12FN3O3S
chemicalCompound:moleculeId	910168
chemicalCompound:mwFreebase	333.337
chemicalCompound:alogp	1.607
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	96.87
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.89
chemicalCompound:acdLogP	1.001
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	333.337
chemicalCompound:acdMostBpk...	2.146
chemicalCompound:chemblId	CHEMBL1486284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1010168
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:3832103, activity:3909535, activity:4284662, activity:4600888, activity:4920303, activity:5362134, activity:5846870, activity:5940061, activity:6677371, activity:6830051, activity:7413797