352715

Source:http://linkedlifedata.com/resource/chembl/compound/352715

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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/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)
chemicalCompound:standardIn...	UZYVMMMONZXOCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)Nc2[nH]c(nc2C1=O)c3ccc(cc3)S(=O)(=O)NCCc4ccccc4
chemicalCompound:molecularF...	C22 H23 N5 O4 S
chemicalCompound:moleculeId	352715
chemicalCompound:mwFreebase	453.514
chemicalCompound:alogp	2.824
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	132.63
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.343
chemicalCompound:acdLogP	2.938
chemicalCompound:acdLogD	0.939
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	453.514
chemicalCompound:chemblId	CHEMBL211521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452715
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:1742913, activity:1742915, activity:1742917, activity:1742919, activity:1742921, activity:1742923, activity:1742925, activity:1742928, activity:1742930, activity:1742931