545663

Source:http://linkedlifedata.com/resource/chembl/compound/545663

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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:666321
chemicalCompound:standardIn...	InChI=1S/C8H7ClN4S.ClH/c9-6-4-2-1-3-5(6)7-12-13-8(11-10)14-7;/h1-4H,10H2,(H,11,13);1H
chemicalCompound:standardIn...	XMGBSQGUALEHPE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NNc1nnc(s1)c2ccccc2Cl
chemicalCompound:molecularF...	C8H8Cl2N4S
chemicalCompound:moleculeId	545663
chemicalCompound:mwFreebase	226.686
chemicalCompound:alogp	1.531
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.618
chemicalCompound:acdLogD	2.618
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.147
chemicalCompound:acdMostBpk...	2.554
chemicalCompound:chemblId	CHEMBL543595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645663
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:107557, activity:107558, activity:107559, activity:107560, activity:744813