309946

Source:http://linkedlifedata.com/resource/chembl/compound/309946

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H19NOS/c1-19-11-9-17(14-5-3-2-4-6-14)20-16-7-8-18-15(13-16)10-12-21-18/h2-8,10,12-13,17,19H,9,11H2,1H3/t17-/m1/s1
chemicalCompound:standardIn...	VQXLGPJBDJYSCX-QGZVFWFLSA-N
chemicalCompound:canonicalS...	CNCC[C@@H](Oc1ccc2sccc2c1)c3ccccc3
chemicalCompound:molecularF...	C18 H19 N O S
chemicalCompound:moleculeId	309946
chemicalCompound:mwFreebase	297.415
chemicalCompound:alogp	3.952
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	49.5
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.86
chemicalCompound:acdLogD	1.295
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	297.415
chemicalCompound:acdMostBpk...	10.113
chemicalCompound:chemblId	CHEMBL363465
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:409946
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:1454692, activity:1454693, activity:1454694