982706

Source:http://linkedlifedata.com/resource/chembl/compound/982706

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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/C21H22N4O4S/c1-2-25(14-15-6-4-3-5-7-15)30(27,28)18-12-10-16(11-13-18)19(26)22-21-24-23-20(29-21)17-8-9-17/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,22,24,26)
chemicalCompound:standardIn...	OFDGTKZSUYFKKW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(Cc1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)Nc3oc(nn3)C4CC4
chemicalCompound:molecularF...	C21H22N4O4S
chemicalCompound:moleculeId	982706
chemicalCompound:mwFreebase	426.489
chemicalCompound:alogp	2.598
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	113.78
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.831
chemicalCompound:acdLogP	4.821
chemicalCompound:acdLogD	4.819
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.489
chemicalCompound:chemblId	CHEMBL1558822
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1082706
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:3650799, activity:3700223, activity:3716652, activity:3761863, activity:3764167, activity:3868500, activity:3940955, activity:3955312, activity:3978363, activity:4007582, activity:4100269, activity:4137384, activity:4424036, activity:4466513, activity:4606397, activity:4854210, activity:4966019, activity:5008835, activity:5442842, activity:5532360, activity:5554868, activity:5811182, activity:5904430, activity:5961803, activity:6994817, activity:7073636