1034096

Source:http://linkedlifedata.com/resource/chembl/compound/1034096

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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/C20H26N2O3S/c1-15-7-13-18(14-8-15)26(23,24)22-20-6-4-3-5-19(20)21-16-9-11-17(25-2)12-10-16/h7-14,19-22H,3-6H2,1-2H3
chemicalCompound:standardIn...	ZDACPJHJKZDQJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(NC2CCCCC2NS(=O)(=O)c3ccc(C)cc3)cc1
chemicalCompound:molecularF...	C20H26N2O3S
chemicalCompound:moleculeId	1034096
chemicalCompound:mwFreebase	374.497
chemicalCompound:alogp	4.099
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.81
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.658
chemicalCompound:acdLogP	4.027
chemicalCompound:acdLogD	4.023
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	374.497
chemicalCompound:acdMostBpk...	5.529
chemicalCompound:chemblId	CHEMBL1610212
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1134096
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:3894761, activity:4280477, activity:5376401, activity:5747994, activity:5845963, activity:6670138, activity:6826405