767358

Source:http://linkedlifedata.com/resource/chembl/compound/767358

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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/C17H16N2O4S/c1-12-10-13(2)19(18-12)14-8-9-16(17(11-14)24(20,21)22)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21,22)
chemicalCompound:standardIn...	KOTWEQVEQLAXFH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)n(n1)c2ccc(Oc3ccccc3)c(c2)S(=O)(=O)O
chemicalCompound:molecularF...	C17H16N2O4S
chemicalCompound:moleculeId	767358
chemicalCompound:mwFreebase	344.385
chemicalCompound:alogp	3.377
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.8
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.556
chemicalCompound:acdLogP	1.55
chemicalCompound:acdLogD	-1.95
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	344.385
chemicalCompound:acdMostBpk...	1.605
chemicalCompound:chemblId	CHEMBL1343474
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:867358
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:3865554, activity:4323749, activity:4890707, activity:5028322, activity:5056363, activity:5335430, activity:5367733, activity:5413906, activity:5570631, activity:5725107, activity:5730119, activity:5857339, activity:6449044, activity:6495165, activity:6776465, activity:6859097, activity:6996962, activity:7068991, activity:7320364, activity:7416677, activity:8313965