171978

Source:http://linkedlifedata.com/resource/chembl/compound/171978

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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/C31H37N5O4/c1-22-8-10-23(11-9-22)36-29(20-28(34-36)31(2,3)21-37)33-30(38)32-26-12-13-27(25-7-5-4-6-24(25)26)40-19-16-35-14-17-39-18-15-35/h4-13,20,37H,14-19,21H2,1-3H3,(H2,32,33,38)
chemicalCompound:standardIn...	GPWFFJYJAIOOMC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)CO
chemicalCompound:molecularF...	C31 H37 N5 O4
chemicalCompound:moleculeId	171978
chemicalCompound:mwFreebase	543.657
chemicalCompound:alogp	4.816
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	100.88
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.393
chemicalCompound:acdLogP	2.918
chemicalCompound:acdLogD	2.874
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	543.657
chemicalCompound:acdMostBpk...	6.415
chemicalCompound:chemblId	CHEMBL107850
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271978
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:180790, activity:180791, activity:1138440, activity:1138441, activity:1138442