743264

Source:http://linkedlifedata.com/resource/chembl/compound/743264

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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/C20H31N3O4S/c1-3-4-13-21-20(25)17-7-5-16(6-8-17)14-22-28(26,27)19-11-9-18(10-12-19)23-15(2)24/h9-12,16-17,22H,3-8,13-14H2,1-2H3,(H,21,25)(H,23,24)
chemicalCompound:standardIn...	MZRYCLGJJHTNDL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(=O)C)cc2)CC1
chemicalCompound:molecularF...	C20H31N3O4S
chemicalCompound:moleculeId	743264
chemicalCompound:mwFreebase	409.543
chemicalCompound:alogp	2.142
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	112.75
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.49
chemicalCompound:acdLogP	2.302
chemicalCompound:acdLogD	2.302
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.543
chemicalCompound:chemblId	CHEMBL1319380
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:843264
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:3612330, activity:3621555, activity:3661546, activity:4718223, activity:4858479, activity:6559850, activity:6655792, activity:6831134