581023

Source:http://linkedlifedata.com/resource/chembl/compound/581023

Download in:

Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:581023	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:581023	chemicalCompound:standardIn...	InChI=1S/C12H12N6/c13-11-10-12(16-7-15-11)18(8-17-10)5-3-9-2-1-4-14-6-9/h1-2,4,6-8H,3,5H2,(H2,13,15,16)	lld:chembl
chemicalCompound:581023	chemicalCompound:standardIn...	BDZWTQGDDISMSG-UHFFFAOYSA-N	lld:chembl
chemicalCompound:581023	chemicalCompound:canonicalS...	Nc1ncnc2c1ncn2CCc3cccnc3	lld:chembl
chemicalCompound:581023	chemicalCompound:molecularF...	C12H12N6	lld:chembl
chemicalCompound:581023	chemicalCompound:moleculeId	581023	lld:chembl
chemicalCompound:581023	chemicalCompound:mwFreebase	240.264	lld:chembl
chemicalCompound:581023	chemicalCompound:alogp	0.518	lld:chembl
chemicalCompound:581023	chemicalCompound:hba	5	lld:chembl
chemicalCompound:581023	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:581023	chemicalCompound:psa	82.51	lld:chembl
chemicalCompound:581023	chemicalCompound:rtb	3	lld:chembl
chemicalCompound:581023	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:581023	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:581023	chemicalCompound:medChemFri...	Y	lld:chembl
chemicalCompound:581023	chemicalCompound:acdLogP	0.978	lld:chembl
chemicalCompound:581023	chemicalCompound:acdLogD	0.974	lld:chembl
chemicalCompound:581023	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:581023	chemicalCompound:fullMwt	240.264	lld:chembl
chemicalCompound:581023	chemicalCompound:acdMostBpk...	5.248	lld:chembl
chemicalCompound:581023	chemicalCompound:chemblId	CHEMBL576077	lld:chembl
chemicalCompound:581023	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:581023	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:581023	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:581023	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:581023	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:581023	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:581023	chemicalCompound:oral	No	lld:chembl
chemicalCompound:581023	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:581023	chemicalCompound:topical	No	lld:chembl
chemicalCompound:581023	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:581023	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:581023	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:581023	chemicalCompound:activity	activity:3009317	lld:chembl
chemicalCompound:581023	chemicalCompound:activity	activity:3010445	lld:chembl
chemicalCompound:581023	chemicalCompound:activity	activity:3010460	lld:chembl
chemicalCompound:581023	chemicalCompound:activity	activity:3010495	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:581023	lld:chembl