972302

Source:http://linkedlifedata.com/resource/chembl/compound/972302

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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/C18H14Cl2N4O4S/c1-28-17-9-16(21-10-22-17)24-29(26,27)13-5-3-12(4-6-13)23-18(25)14-7-2-11(19)8-15(14)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
chemicalCompound:standardIn...	LKXUJMFRFSNIBB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ncn1
chemicalCompound:molecularF...	C18H14Cl2N4O4S
chemicalCompound:moleculeId	972302
chemicalCompound:mwFreebase	453.299
chemicalCompound:alogp	3.714
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	118.66
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.406
chemicalCompound:acdLogP	3.826
chemicalCompound:acdLogD	1.918
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	453.299
chemicalCompound:acdMostBpk...	2.386
chemicalCompound:chemblId	CHEMBL1548418
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1072302
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:4572701, activity:4955561, activity:5729442, activity:6462471, activity:6676350, activity:7093930, activity:9967592