192635

Source:http://linkedlifedata.com/resource/chembl/compound/192635

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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/C18H19NO2S/c1-19-10-9-17(18-6-3-11-22-18)21-16-5-2-4-13-12-14(20)7-8-15(13)16/h2-8,11-12,17,19-20H,9-10H2,1H3/t17-/m0/s1
chemicalCompound:standardIn...	LEIFDHLVPBJTIV-KRWDZBQOSA-N
chemicalCompound:canonicalS...	CNCC[C@H](Oc1cccc2cc(O)ccc12)c3cccs3
chemicalCompound:molecularF...	C18 H19 N O2 S
chemicalCompound:moleculeId	192635
chemicalCompound:mwFreebase	313.414
chemicalCompound:alogp	3.604
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	69.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.315
chemicalCompound:acdLogP	4.172
chemicalCompound:acdLogD	1.674
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.414
chemicalCompound:acdMostBpk...	10.057
chemicalCompound:chemblId	CHEMBL332098
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:292635
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:659083, activity:659084, activity:659085