545610

Source:http://linkedlifedata.com/resource/chembl/compound/545610

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:286348
chemicalCompound:standardIn...	InChI=1S/C9H10N4S.ClH/c1-6-4-2-3-5-7(6)8-12-13-9(11-10)14-8;/h2-5H,10H2,1H3,(H,11,13);1H
chemicalCompound:standardIn...	SLFBMDDKFCRYAX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccccc1c2nnc(NN)s2
chemicalCompound:molecularF...	C9H11ClN4S
chemicalCompound:moleculeId	545610
chemicalCompound:mwFreebase	206.268
chemicalCompound:alogp	1.353
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.958
chemicalCompound:acdLogD	2.958
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	242.728
chemicalCompound:acdMostBpk...	2.685
chemicalCompound:chemblId	CHEMBL555819
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645610
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:107553, activity:107554, activity:107555, activity:107556, activity:724728, activity:724729, activity:724730, activity:724731, activity:724732, activity:724733, activity:724734, activity:724735, activity:724736, activity:724737, activity:724738