1274186

Source:http://linkedlifedata.com/resource/chembl/compound/1274186

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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/C17H22N2O2S/c1-12-4-6-16(7-5-12)22(20,21)19-17-11-13(2)10-15(8-9-18)14(17)3/h4-7,10-11,19H,8-9,18H2,1-3H3
chemicalCompound:standardIn...	NKYJJBMRDQHMKI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)Nc2cc(C)cc(CCN)c2C
chemicalCompound:molecularF...	C17H22N2O2S
chemicalCompound:moleculeId	1274186
chemicalCompound:mwFreebase	318.434
chemicalCompound:alogp	3.203
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	80.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.444
chemicalCompound:acdLogP	2.444
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	318.434
chemicalCompound:acdMostBpk...	10.215
chemicalCompound:chemblId	CHEMBL1939343
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1374186
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:7998223