803259

Source:http://linkedlifedata.com/resource/chembl/compound/803259

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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/C22H30N4O4S2/c1-18-5-9-20(10-6-18)31(27,28)24-14-13-23-22(17-26-15-3-4-16-26)25-32(29,30)21-11-7-19(2)8-12-21/h5-12,24H,3-4,13-17H2,1-2H3,(H,23,25)
chemicalCompound:standardIn...	CAPDANIYHPPRLZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)NCCN=C(CN2CCCC2)NS(=O)(=O)c3ccc(C)cc3
chemicalCompound:molecularF...	C22H30N4O4S2
chemicalCompound:moleculeId	803259
chemicalCompound:mwFreebase	478.628
chemicalCompound:alogp	2.784
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	124.69
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.392
chemicalCompound:acdLogP	3.47
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	478.628
chemicalCompound:acdMostBpk...	9.359
chemicalCompound:chemblId	CHEMBL1379375
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903259
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:3684752, activity:3737460, activity:4126018, activity:4210586, activity:4541333, activity:5332120, activity:7169448, activity:7491153