471586

Source:http://linkedlifedata.com/resource/chembl/compound/471586

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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:661499
chemicalCompound:standardIn...	InChI=1S/C18H19NS.ClH/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m1./s1
chemicalCompound:standardIn...	ZAQWLTCPVRBBIN-UNTBIKODSA-N
chemicalCompound:canonicalS...	Cl.CNCC[C@@H](c1cccs1)c2cccc3ccccc23
chemicalCompound:molecularF...	C18H20ClNS
chemicalCompound:moleculeId	471586
chemicalCompound:mwFreebase	281.415
chemicalCompound:alogp	4.08
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	40.26
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.94
chemicalCompound:acdLogD	1.266
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	317.876
chemicalCompound:acdMostBpk...	10.278
chemicalCompound:chemblId	CHEMBL508252
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571586
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:2265490, activity:2265491, activity:2265492, activity:2265538