545654

Source:http://linkedlifedata.com/resource/chembl/compound/545654

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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:665900
chemicalCompound:standardIn...	InChI=1S/C20H16N4S.ClH/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-22-24-20(25-19)23-21-16-11-5-2-6-12-16;/h1-14,21H,(H,23,24);1H
chemicalCompound:standardIn...	XYEANOGIIQEDKO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.N(Nc1nnc(s1)c2ccccc2c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C20H17ClN4S
chemicalCompound:moleculeId	545654
chemicalCompound:mwFreebase	344.433
chemicalCompound:alogp	4.682
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.147
chemicalCompound:acdLogD	6.147
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.894
chemicalCompound:acdMostBpk...	2.051
chemicalCompound:chemblId	CHEMBL543119
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645654
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:139157, activity:139158, activity:139159