352529

Source:http://linkedlifedata.com/resource/chembl/compound/352529

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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/C20H27N5O4S/c1-4-11-24(12-5-2)30(28,29)15-9-7-14(8-10-15)17-21-16-18(22-17)23-20(27)25(13-6-3)19(16)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,27)
chemicalCompound:standardIn...	YUVZBZJZTFLAGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(CCC)S(=O)(=O)c1ccc(cc1)c2nc3C(=O)N(CCC)C(=O)Nc3[nH]2
chemicalCompound:molecularF...	C20 H27 N5 O4 S
chemicalCompound:moleculeId	352529
chemicalCompound:mwFreebase	433.524
chemicalCompound:alogp	2.87
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	123.84
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.374
chemicalCompound:acdLogP	3.929
chemicalCompound:acdLogD	3.691
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	433.524
chemicalCompound:chemblId	CHEMBL377246
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:452529
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:1742852, activity:1742854, activity:1742857, activity:1742860, activity:1742872, activity:1742875, activity:1742877