544219

Source:http://linkedlifedata.com/resource/chembl/compound/544219

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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:666262
chemicalCompound:standardIn...	InChI=1S/C13H21NS.ClH/c1-3-6-14(7-4-2)13-9-12(13)11-5-8-15-10-11;/h5,8,10,12-13H,3-4,6-7,9H2,1-2H3;1H
chemicalCompound:standardIn...	VGTRFLJIFMAKHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCC)C1CC1c2ccsc2
chemicalCompound:molecularF...	C13H22ClNS
chemicalCompound:moleculeId	544219
chemicalCompound:mwFreebase	223.378
chemicalCompound:alogp	3.568
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	31.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.696
chemicalCompound:acdLogD	2.288
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	259.838
chemicalCompound:acdMostBpk...	8.799
chemicalCompound:chemblId	CHEMBL543530
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644219
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:589175