127251

Source:http://linkedlifedata.com/resource/chembl/compound/127251

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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/C16H18N2O3S/c1-13-7-9-15(10-8-13)22(20,21)18-16(19)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,19)
chemicalCompound:standardIn...	CZHCDTXIWCBSSU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCc2ccccc2
chemicalCompound:molecularF...	C16 H18 N2 O3 S
chemicalCompound:moleculeId	127251
chemicalCompound:mwFreebase	318.391
chemicalCompound:alogp	2.912
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.65
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.196
chemicalCompound:acdLogP	2.921
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	318.391
chemicalCompound:chemblId	CHEMBL78927
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:227251
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:608440, activity:608441, activity:6650329, activity:6738243, activity:8228063, activity:8349042, activity:8364071, activity:8376513, activity:8382985, activity:8480175, activity:8565101, activity:8625545, activity:8641640, activity:8706188, activity:8713223, activity:8746249, activity:8753298, activity:8850468, activity:8881359, activity:8910791, activity:8949411, activity:9049743, activity:9146207, activity:9161914, activity:9213450, activity:9270438, activity:9272429, activity:9301382, activity:9338991, activity:9408536, activity:9411143, activity:9487542, activity:9494310, activity:9666794, activity:9689855, activity:9741476, activity:9765289, activity:9834857, activity:9874692, activity:9908584, activity:9941953, activity:10059766, activity:10075304, activity:10082907, activity:10146426, activity:10191271, activity:10232745, activity:10351498, activity:10379243, activity:10422747, activity:10425846, activity:10476778, activity:10479867, activity:10542579, activity:10574402, activity:10660998, activity:10682880, activity:10760684, activity:10776198, activity:10829140