779247

Source:http://linkedlifedata.com/resource/chembl/compound/779247

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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/C23H25N3O4S/c27-23(24-17-21(22-12-7-15-30-22)26-13-4-5-14-26)18-8-6-9-19(16-18)25-31(28,29)20-10-2-1-3-11-20/h1-3,6-12,15-16,21,25H,4-5,13-14,17H2,(H,24,27)
chemicalCompound:standardIn...	NMHLIZASBYGQSS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NCC(N1CCCC1)c2occc2)c3cccc(NS(=O)(=O)c4ccccc4)c3
chemicalCompound:molecularF...	C23H25N3O4S
chemicalCompound:moleculeId	779247
chemicalCompound:mwFreebase	439.527
chemicalCompound:alogp	3.026
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	100.03
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.89
chemicalCompound:acdLogP	3.781
chemicalCompound:acdLogD	2.89
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.527
chemicalCompound:acdMostBpk...	7.738
chemicalCompound:chemblId	CHEMBL1355363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:879247
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:4317990, activity:5440201, activity:5714357, activity:6458370, activity:6683028, activity:6929215, activity:7078585