886784

Source:http://linkedlifedata.com/resource/chembl/compound/886784

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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/C22H24N2O4S/c1-4-20(25)24(17-12-11-16(27-2)14-18(17)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15/h1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26)
chemicalCompound:standardIn...	IIZSMPAYISCGST-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C#C)c(OC)c1
chemicalCompound:molecularF...	C22H24N2O4S
chemicalCompound:moleculeId	886784
chemicalCompound:mwFreebase	412.502
chemicalCompound:alogp	4.53
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.11
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.772
chemicalCompound:acdLogP	4.349
chemicalCompound:acdLogD	4.349
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	412.502
chemicalCompound:acdMostBpk...	1.544
chemicalCompound:chemblId	CHEMBL1462900
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:986784
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:3650029, activity:3859000, activity:4027379, activity:4098643, activity:4241029, activity:4323012, activity:4557290, activity:4728549, activity:4759725, activity:4936780, activity:5051122, activity:5329386, activity:5611186, activity:5665492, activity:5693443, activity:5731705, activity:5858576, activity:5862948, activity:5961520, activity:5975241, activity:6170716, activity:6170790, activity:6170817, activity:6170828, activity:6170837, activity:6170844, activity:6170848, activity:6170894, activity:6170923, activity:6171538, activity:6729621, activity:6817479, activity:6911133, activity:6972687, activity:6985950, activity:7042963, activity:7239285, activity:7336839, activity:7470504, activity:8278590, activity:8995619, activity:9693739, activity:10306609, activity:10608086