400295

Source:http://linkedlifedata.com/resource/chembl/compound/400295

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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/C24H28N4/c25-24(26)28-15-4-2-1-3-14-27-16-20-11-10-19-9-8-17-6-5-7-18-12-13-21(20)23(19)22(17)18/h5-13,27H,1-4,14-16H2,(H4,25,26,28)
chemicalCompound:standardIn...	VYVJDBJUTULZKD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)NCCCCCCNCc1ccc2ccc3cccc4ccc1c2c34
chemicalCompound:molecularF...	C24 H28 N4
chemicalCompound:moleculeId	400295
chemicalCompound:mwFreebase	372.506
chemicalCompound:alogp	4.074
chemicalCompound:hba	2
chemicalCompound:hbd	4
chemicalCompound:psa	73.93
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.983
chemicalCompound:acdLogD	0.074
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	372.506
chemicalCompound:acdMostBpk...	13.597
chemicalCompound:chemblId	CHEMBL428549
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:500295
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:2009668, activity:2009679, activity:2009691, activity:2009699, activity:2009711, activity:2009717, activity:2009742, activity:2009759, activity:2009776