939718

Source:http://linkedlifedata.com/resource/chembl/compound/939718

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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/C21H22ClN3O4S2/c22-17-6-2-1-5-15(17)12-23-20(26)13-25-18-11-16(7-8-19(18)30-14-21(25)27)31(28,29)24-9-3-4-10-24/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,26)
chemicalCompound:standardIn...	NSFWJOYYEZJWSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccccc1CNC(=O)CN2C(=O)CSc3ccc(cc23)S(=O)(=O)N4CCCC4
chemicalCompound:molecularF...	C21H22ClN3O4S2
chemicalCompound:moleculeId	939718
chemicalCompound:mwFreebase	480
chemicalCompound:alogp	2.269
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	120.46
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.913
chemicalCompound:acdLogP	4.633
chemicalCompound:acdLogD	4.633
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480
chemicalCompound:chemblId	CHEMBL1515834
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1039718
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:3609959, activity:10617038