224411

Source:http://linkedlifedata.com/resource/chembl/compound/224411

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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/C22H30N2O4S/c1-5-16(4)21(22(26)23-18(14-25)13-15(2)3)24-29(27,28)20-12-8-10-17-9-6-7-11-19(17)20/h6-12,14-16,18,21,24H,5,13H2,1-4H3,(H,23,26)/t16?,18-,21-/m0/s1
chemicalCompound:standardIn...	IMOSLUWKGNEVCI-NOXARIMGSA-N
chemicalCompound:canonicalS...	CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C=O
chemicalCompound:molecularF...	C22 H30 N2 O4 S
chemicalCompound:moleculeId	224411
chemicalCompound:mwFreebase	418.55
chemicalCompound:alogp	3.712
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	100.72
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.254
chemicalCompound:acdLogP	4.142
chemicalCompound:acdLogD	4.128
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.55
chemicalCompound:chemblId	CHEMBL134494
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324411
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:310786, activity:310787, activity:310788