994146

Source:http://linkedlifedata.com/resource/chembl/compound/994146

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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/C14H12FN3O3S2/c1-7-10(12(20)21-2)23-14(16-7)18-13(22)17-11(19)8-5-3-4-6-9(8)15/h3-6H,1-2H3,(H2,16,17,18,19,22)
chemicalCompound:standardIn...	FLEXWLOYXRDOGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2F)nc1C
chemicalCompound:molecularF...	C14H12FN3O3S2
chemicalCompound:moleculeId	994146
chemicalCompound:mwFreebase	353.392
chemicalCompound:alogp	2.925
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	140.64
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.017
chemicalCompound:acdLogP	1.642
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.392
chemicalCompound:acdMostBpk...	1.254
chemicalCompound:chemblId	CHEMBL1570262
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1094146
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:3832092, activity:3875902, activity:3909524, activity:4055946, activity:4409105, activity:4705249, activity:4920292, activity:4945253, activity:5016035, activity:5474515, activity:5680398, activity:5748081, activity:5939167, activity:6889353, activity:7083829, activity:7413733, activity:7432646