965148

Source:http://linkedlifedata.com/resource/chembl/compound/965148

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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/C20H28N4S/c1-15-9-8-10-16(2)19(15)22-20(25)24(14-13-23(4)5)17(3)18-11-6-7-12-21-18/h6-12,17H,13-14H2,1-5H3,(H,22,25)
chemicalCompound:standardIn...	HGXPYQCYZHTZBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N(CCN(C)C)C(=Nc1c(C)cccc1C)S)c2ccccn2
chemicalCompound:molecularF...	C20H28N4S
chemicalCompound:moleculeId	965148
chemicalCompound:mwFreebase	356.528
chemicalCompound:alogp	4.679
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	70.52
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.674
chemicalCompound:acdLogP	4.183
chemicalCompound:acdLogD	1.741
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	356.528
chemicalCompound:acdMostBpk...	11.493
chemicalCompound:chemblId	CHEMBL1541264
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1065148
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:3730678, activity:5569292, activity:5640100, activity:6713802, activity:6961395