998741

Source:http://linkedlifedata.com/resource/chembl/compound/998741

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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/C14H13NO4S2/c16-12(17)7-2-8-15-13(18)11(21-14(15)20)6-1-4-10-5-3-9-19-10/h1,3-6,9H,2,7-8H2,(H,16,17)/b4-1+,11-6-
chemicalCompound:standardIn...	HDZLAVLCJJTXIJ-PZXDNKHOSA-N
chemicalCompound:canonicalS...	OC(=O)CCCN1C(=S)S\C(=C/C=C/c2occc2)\C1=O
chemicalCompound:molecularF...	C14H13NO4S2
chemicalCompound:moleculeId	998741
chemicalCompound:mwFreebase	323.387
chemicalCompound:alogp	2.961
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	128.14
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.637
chemicalCompound:acdLogP	2.159
chemicalCompound:acdLogD	-0.563
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	323.387
chemicalCompound:chemblId	CHEMBL1574857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1098741
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:3606769, activity:3799112, activity:4061335, activity:4114862, activity:4314540, activity:4363677, activity:4529379, activity:4613780, activity:4730145, activity:4827441, activity:4868339, activity:4887454, activity:5067667, activity:5360973, activity:5503222, activity:5542936, activity:5559765, activity:5567601, activity:5663445, activity:5792607, activity:5962736, activity:5977077, activity:6644749, activity:6813037, activity:6843406, activity:6875958, activity:6935475, activity:6970516, activity:7036970, activity:7046468, activity:7248592, activity:7386461, activity:7458307, activity:10419099