960679

Source:http://linkedlifedata.com/resource/chembl/compound/960679

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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/C15H20F2N2S2/c1-2-12-5-3-4-10-19(12)15(20)18-11-6-8-13(9-7-11)21-14(16)17/h6-9,12,14H,2-5,10H2,1H3,(H,18,20)
chemicalCompound:standardIn...	YQWOXKDXMBLRCK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1CCCCN1C(=Nc2ccc(SC(F)F)cc2)S
chemicalCompound:molecularF...	C15H20F2N2S2
chemicalCompound:moleculeId	960679
chemicalCompound:mwFreebase	330.46
chemicalCompound:alogp	5.618
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	79.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-7.976
chemicalCompound:acdLogP	4.994
chemicalCompound:acdLogD	2.494
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	330.46
chemicalCompound:acdMostBpk...	13.107
chemicalCompound:chemblId	CHEMBL1536795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060679
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:3621522, activity:3738959, activity:4069936, activity:4434150, activity:4515215, activity:4789625, activity:7272663, activity:7373575