882363

Source:http://linkedlifedata.com/resource/chembl/compound/882363

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1044492
chemicalCompound:standardIn...	InChI=1S/C22H24N2O4S.ClH/c1-4-20(25)24(16-11-12-17(27-2)18(14-16)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);1H
chemicalCompound:standardIn...	ZJOVIVFCQIYYGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc(cc1OC)N(C(C(=O)NC2CCCC2)c3cccs3)C(=O)C#C
chemicalCompound:molecularF...	C22H25ClN2O4S
chemicalCompound:moleculeId	882363
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	4.724
chemicalCompound:acdLogD	4.724
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.963
chemicalCompound:acdMostBpk...	0.044
chemicalCompound:chemblId	CHEMBL1458479
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982363
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:3739828, activity:3832997, activity:3950384, activity:4013585, activity:4070733, activity:4209258, activity:4307728, activity:4415870, activity:4693827, activity:4748179, activity:4763398, activity:4805762, activity:4839522, activity:4916671, activity:5330259, activity:5416115, activity:5442409, activity:5515216, activity:5546510, activity:5665438, activity:5692434, activity:5802126, activity:5857733, activity:5862894, activity:5892545, activity:5961466, activity:5974451, activity:6726012, activity:6770928, activity:6789785, activity:6967396, activity:7026633, activity:7261783, activity:7370725, activity:7512880, activity:8283030, activity:8995695, activity:9693815, activity:10315401, activity:10616754