982064

Source:http://linkedlifedata.com/resource/chembl/compound/982064

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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/C25H24N4O2S/c1-16-13-22(17(2)29(16)14-19-7-5-4-6-8-19)23-15-32-25(27-23)28-24(31)20-9-11-21(12-10-20)26-18(3)30/h4-13,15H,14H2,1-3H3,(H,26,30)(H,27,28,31)
chemicalCompound:standardIn...	PIITVCCJJWAOHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(cc1)C(=O)Nc2nc(cs2)c3cc(C)n(Cc4ccccc4)c3C
chemicalCompound:molecularF...	C25H24N4O2S
chemicalCompound:moleculeId	982064
chemicalCompound:mwFreebase	444.549
chemicalCompound:alogp	3.853
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	104.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.218
chemicalCompound:acdLogP	5.262
chemicalCompound:acdLogD	4.937
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.549
chemicalCompound:acdMostBpk...	2.391
chemicalCompound:chemblId	CHEMBL1558180
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1082064
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:3706279, activity:3865828, activity:3949034, activity:3975867, activity:4226073, activity:4435893, activity:4564385, activity:5353540, activity:5650539, activity:5653836, activity:5680740, activity:5789029, activity:5794434, activity:5872403, activity:5973167, activity:5973896, activity:5983558, activity:6483062, activity:6724415, activity:7092269, activity:7248685, activity:7366384