96906

Source:http://linkedlifedata.com/resource/chembl/compound/96906

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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/C19H18N2O4S2/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)
chemicalCompound:standardIn...	JLBDJLPMNUZLLF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCCC3CSc4ccccc4
chemicalCompound:molecularF...	C19 H18 N2 O4 S2
chemicalCompound:moleculeId	96906
chemicalCompound:mwFreebase	402.487
chemicalCompound:alogp	2.467
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	117.23
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.65
chemicalCompound:acdLogP	3.642
chemicalCompound:acdLogD	3.619
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.487
chemicalCompound:chemblId	CHEMBL63493
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196906
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:377187, activity:2702691, activity:2702724