760718

Source:http://linkedlifedata.com/resource/chembl/compound/760718

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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/C13H12ClNO3S2/c14-11-6-7-12(19-11)20(17,18)15-8-2-4-9-3-1-5-10(16)13(9)15/h1,3,5-7,16H,2,4,8H2
chemicalCompound:standardIn...	XLLZLDIKYHIDQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc2CCCN(c12)S(=O)(=O)c3ccc(Cl)s3
chemicalCompound:molecularF...	C13H12ClNO3S2
chemicalCompound:moleculeId	760718
chemicalCompound:mwFreebase	329.822
chemicalCompound:alogp	3.058
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	94.22
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.525
chemicalCompound:acdLogP	3.347
chemicalCompound:acdLogD	3.254
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.822
chemicalCompound:chemblId	CHEMBL1336834
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:860718
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:3819801, activity:3846801, activity:3970626, activity:4301206, activity:4324108, activity:4452589, activity:4716800, activity:4907526, activity:4917075, activity:5045196, activity:5441449, activity:5546448, activity:5890789, activity:6448836, activity:6549068, activity:6653764, activity:7315414, activity:7411143