545576

Source:http://linkedlifedata.com/resource/chembl/compound/545576

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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:669246
chemicalCompound:standardIn...	InChI=1S/C15H13ClN4S.ClH/c16-13-9-5-4-8-12(13)14-18-20-15(21-14)19-17-10-11-6-2-1-3-7-11;/h1-9,17H,10H2,(H,19,20);1H
chemicalCompound:standardIn...	CYKONWKXFGNRKT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Clc1ccccc1c2nnc(NNCc3ccccc3)s2
chemicalCompound:molecularF...	C15H14Cl2N4S
chemicalCompound:moleculeId	545576
chemicalCompound:mwFreebase	316.809
chemicalCompound:alogp	3.321
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.621
chemicalCompound:acdLogD	4.621
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.269
chemicalCompound:acdMostBpk...	3.133
chemicalCompound:chemblId	CHEMBL554224
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645576
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:107503, activity:107504, activity:107505