286194

Source:http://linkedlifedata.com/resource/chembl/compound/286194

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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/C24H25N5O4/c1-2-3-4-5-6-7-15-31-18-13-11-17(12-14-18)24(30)25-19-9-8-10-20-22(19)33-21(16-32-20)23-26-28-29-27-23/h8-14,21H,2-5,15-16H2,1H3,(H,25,30)(H,26,27,28,29)
chemicalCompound:standardIn...	JQQVCFPPEBPPIO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC#CCOc1ccc(cc1)C(=O)Nc2cccc3OCC(Oc23)c4nn[nH]n4
chemicalCompound:molecularF...	C24 H25 N5 O4
chemicalCompound:moleculeId	286194
chemicalCompound:mwFreebase	447.486
chemicalCompound:alogp	4.807
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	111.25
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.931
chemicalCompound:acdLogP	4.095
chemicalCompound:acdLogD	2.109
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	447.486
chemicalCompound:acdMostBpk...	0.522
chemicalCompound:chemblId	CHEMBL170017
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:386194
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:270112, activity:270113