469467

Source:http://linkedlifedata.com/resource/chembl/compound/469467

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:469467_NCI-165451_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C14H16N4S/c1-11(2)17-18-13-8-9-15-14(16-13)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,15,16,18)
chemicalCompound:standardIn...	ZYSSSVLLWGEHKF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=NNc1ccnc(SCc2ccccc2)n1)C
chemicalCompound:molecularF...	C14H16N4S
chemicalCompound:moleculeId	469467
chemicalCompound:mwFreebase	272.369
chemicalCompound:alogp	2.524
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	75.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.746
chemicalCompound:acdLogP	3.43
chemicalCompound:acdLogD	3.429
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	272.369
chemicalCompound:acdMostBpk...	6.202
chemicalCompound:chemblId	CHEMBL493463
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:569467
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:2370442