1092011

Source:http://linkedlifedata.com/resource/chembl/compound/1092011

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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:916384
chemicalCompound:standardIn...	InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;
chemicalCompound:standardIn...	XUPZAARQDNSRJB-SJDTYFKWSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CC\C=C\1/c2ccccc2CSc3ccccc13
chemicalCompound:molecularF...	C19H22ClNS
chemicalCompound:moleculeId	1092011
chemicalCompound:mwFreebase	295.442
chemicalCompound:alogp	4.466
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	28.54
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.268
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	331.903
chemicalCompound:acdMostBpk...	9.137
chemicalCompound:chemblId	CHEMBL1711280
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1192011
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:5383855, activity:5594563, activity:6705304, activity:7108197, activity:7307823