544427

Source:http://linkedlifedata.com/resource/chembl/compound/544427

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:316365
chemicalCompound:standardIn...	InChI=1S/C19H23NO4S.ClH/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14;/h3-9,14,20H,10-13H2,1-2H3;1H
chemicalCompound:standardIn...	OWRADFDDJVNMGL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cccc(OC)c1OCCNCC2CSc3ccccc3O2
chemicalCompound:molecularF...	C19H24ClNO4S
chemicalCompound:moleculeId	544427
chemicalCompound:mwFreebase	361.455
chemicalCompound:alogp	3.404
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.25
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.447
chemicalCompound:acdLogD	3.03
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	397.916
chemicalCompound:acdMostBpk...	7.608
chemicalCompound:chemblId	CHEMBL544713
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644427
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:336432, activity:336433, activity:3472777, activity:3486977, activity:3486978, activity:3486979, activity:3486980, activity:3486981, activity:3486982, activity:3636051, activity:3696331, activity:3974114, activity:4069620, activity:4279422, activity:4358681, activity:4536192, activity:4539023, activity:4568237, activity:4864401, activity:4970521, activity:5343152, activity:5572089, activity:5783711, activity:5983476, activity:6459961, activity:6612867, activity:7008889, activity:7072316, activity:7514877, activity:7528087