471589

Source:http://linkedlifedata.com/resource/chembl/compound/471589

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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:660303
chemicalCompound:standardIn...	InChI=1S/C19H21NS.ClH/c1-20-13-5-11-18(19-12-6-14-21-19)17-10-4-8-15-7-2-3-9-16(15)17;/h2-4,6-10,12,14,18,20H,5,11,13H2,1H3;1H/t18-;/m0./s1
chemicalCompound:standardIn...	RWMJVKUVPIHLMV-FERBBOLQSA-N
chemicalCompound:canonicalS...	Cl.CNCCC[C@H](c1cccs1)c2cccc3ccccc23
chemicalCompound:molecularF...	C19H22ClNS
chemicalCompound:moleculeId	471589
chemicalCompound:mwFreebase	295.442
chemicalCompound:alogp	4.536
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	40.26
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.685
chemicalCompound:acdLogD	0.848
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	331.903
chemicalCompound:acdMostBpk...	10.579
chemicalCompound:chemblId	CHEMBL459732
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571589
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:2265499, activity:2265500, activity:2265501