409190

Source:http://linkedlifedata.com/resource/chembl/compound/409190

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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/C26H28FN3O3/c1-17-5-6-20-22(28-17)3-2-4-24(20)32-12-11-30-9-7-18(8-10-30)13-19-14-23-25(15-21(19)27)33-16-26(31)29-23/h2-6,14-15,18H,7-13,16H2,1H3,(H,29,31)
chemicalCompound:standardIn...	XJPPJJAODBUHAJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cccc2n1
chemicalCompound:molecularF...	C26 H28 F N3 O3
chemicalCompound:moleculeId	409190
chemicalCompound:mwFreebase	449.517
chemicalCompound:alogp	4.074
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	63.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.538
chemicalCompound:acdLogP	4.514
chemicalCompound:acdLogD	3.528
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.517
chemicalCompound:acdMostBpk...	8.333
chemicalCompound:chemblId	CHEMBL239168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:509190
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:2015926, activity:2015935, activity:2015944, activity:2015953, activity:2016017, activity:2016028