65303

Source:http://linkedlifedata.com/resource/chembl/compound/65303

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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/C22H38N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(25)24-19-18-20-14-16-21(17-15-20)28-29(23,26)27/h14-17H,2-13,18-19H2,1H3,(H,24,25)(H2,23,26,27)
chemicalCompound:standardIn...	MBODHUVGZPZRBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCC(=O)NCCc1ccc(OS(=O)(=O)N)cc1
chemicalCompound:molecularF...	C22 H38 N2 O4 S
chemicalCompound:moleculeId	65303
chemicalCompound:mwFreebase	426.613
chemicalCompound:alogp	5.701
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	106.87
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.744
chemicalCompound:acdLogP	5.504
chemicalCompound:acdLogD	5.485
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.613
chemicalCompound:chemblId	CHEMBL44459
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:165303
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:484941, activity:485847