164716

Source:http://linkedlifedata.com/resource/chembl/compound/164716

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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/C28H28N2O4S/c1-35(32,33)29-25-16-14-22(15-17-25)18-19-30(28(31)24-9-3-2-4-10-24)20-21-34-27-13-7-11-23-8-5-6-12-26(23)27/h2-17,29H,18-21H2,1H3
chemicalCompound:standardIn...	OEKUIQNJBQLFNW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1ccc(CCN(CCOc2cccc3ccccc23)C(=O)c4ccccc4)cc1
chemicalCompound:molecularF...	C28 H28 N2 O4 S
chemicalCompound:moleculeId	164716
chemicalCompound:mwFreebase	488.598
chemicalCompound:alogp	4.6
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.09
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.821
chemicalCompound:acdLogP	4.143
chemicalCompound:acdLogD	4.125
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	488.598
chemicalCompound:chemblId	CHEMBL317628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:264716
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:1003723, activity:1003724, activity:1003725, activity:1003726