110184

Source:http://linkedlifedata.com/resource/chembl/compound/110184

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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/C17H15NO2S/c1-2-20-16(19)11-12-7-9-13(10-8-12)17-18-14-5-3-4-6-15(14)21-17/h3-10H,2,11H2,1H3
chemicalCompound:standardIn...	TZVFXVJWJZMPSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)Cc1ccc(cc1)c2nc3ccccc3s2
chemicalCompound:molecularF...	C17 H15 N O2 S
chemicalCompound:moleculeId	110184
chemicalCompound:mwFreebase	297.371
chemicalCompound:alogp	4.077
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.42
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.139
chemicalCompound:acdLogD	4.139
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	297.371
chemicalCompound:acdMostBpk...	0.75
chemicalCompound:chemblId	CHEMBL68862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:210184
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:520792, activity:1009280