1014741

Source:http://linkedlifedata.com/resource/chembl/compound/1014741

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H18N4O2S/c1-21(2)17-14-9-4-5-10-15(14)18-16(19-17)12-7-6-8-13(11-12)20-24(3,22)23/h4-11,20H,1-3H3
chemicalCompound:standardIn...	CVBDXZWFSWLCEU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1nc(nc2ccccc12)c3cccc(NS(=O)(=O)C)c3
chemicalCompound:molecularF...	C17H18N4O2S
chemicalCompound:moleculeId	1014741
chemicalCompound:mwFreebase	342.415
chemicalCompound:alogp	2.62
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.769
chemicalCompound:acdLogP	2.92
chemicalCompound:acdLogD	2.391
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	342.415
chemicalCompound:chemblId	CHEMBL1590857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1114741
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:3799527, activity:3912084, activity:3984013, activity:4016353, activity:4703569, activity:4715031, activity:4949249, activity:4981982, activity:5025127, activity:5078598, activity:6000231, activity:6027267, activity:6030588, activity:6033997, activity:6062878