545571

Source:http://linkedlifedata.com/resource/chembl/compound/545571

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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:666315
chemicalCompound:standardIn...	InChI=1S/C14H18N4S.ClH/c1-10-6-2-5-9-12(10)13-16-18-14(19-13)17-15-11-7-3-4-8-11;/h2,5-6,9,11,15H,3-4,7-8H2,1H3,(H,17,18);1H
chemicalCompound:standardIn...	NZTJTIRTKGRJMK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccccc1c2nnc(NNC3CCCC3)s2
chemicalCompound:molecularF...	C14H19ClN4S
chemicalCompound:moleculeId	545571
chemicalCompound:mwFreebase	274.385
chemicalCompound:alogp	2.961
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	78.08
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.771
chemicalCompound:acdLogD	4.771
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.845
chemicalCompound:acdMostBpk...	2.89
chemicalCompound:chemblId	CHEMBL543589
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645571
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:136697, activity:136698, activity:136699