172311

Source:http://linkedlifedata.com/resource/chembl/compound/172311

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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/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)
chemicalCompound:standardIn...	CCSCCHWFDTVWIO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc(OCCN2CCOCC2)c3ccccc13)Nc4ccnn4c5ccccc5
chemicalCompound:molecularF...	C26 H27 N5 O3
chemicalCompound:moleculeId	172311
chemicalCompound:mwFreebase	457.524
chemicalCompound:alogp	3.592
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80.65
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.429
chemicalCompound:acdLogP	2.291
chemicalCompound:acdLogD	2.247
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.524
chemicalCompound:acdMostBpk...	6.416
chemicalCompound:chemblId	CHEMBL104119
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:272311
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:169821, activity:169822, activity:1094768, activity:1094769, activity:1094770, activity:1124824