963813

Source:http://linkedlifedata.com/resource/chembl/compound/963813

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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/C14H15FN2OS/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
chemicalCompound:standardIn...	YFPKHIBGCPRLBH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Cc1cccs1)NC(=O)Nc2ccc(F)cc2
chemicalCompound:molecularF...	C14H15FN2OS
chemicalCompound:moleculeId	963813
chemicalCompound:mwFreebase	278.345
chemicalCompound:alogp	3.101
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	69.37
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.388
chemicalCompound:acdLogP	3.535
chemicalCompound:acdLogD	3.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	278.345
chemicalCompound:acdMostBpk...	0.439
chemicalCompound:chemblId	CHEMBL1539929
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1063813
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:3812909, activity:3857562, activity:4435979, activity:4953791, activity:5433174, activity:5584008, activity:5660347, activity:5871730, activity:6472227, activity:6498101, activity:6598960, activity:6954199, activity:7394066, activity:10608140