409196

Source:http://linkedlifedata.com/resource/chembl/compound/409196

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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/C26H27F2N3O3/c1-16-2-3-20-22(29-16)12-19(27)13-24(20)33-9-8-31-6-4-17(5-7-31)10-18-11-23-25(14-21(18)28)34-15-26(32)30-23/h2-3,11-14,17H,4-10,15H2,1H3,(H,30,32)
chemicalCompound:standardIn...	GFDLWVZOTUWVML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc2c(OCCN3CCC(Cc4cc5NC(=O)COc5cc4F)CC3)cc(F)cc2n1
chemicalCompound:molecularF...	C26 H27 F2 N3 O3
chemicalCompound:moleculeId	409196
chemicalCompound:mwFreebase	467.508
chemicalCompound:alogp	4.279
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	3.989
chemicalCompound:acdLogD	3.176
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	467.508
chemicalCompound:acdMostBpk...	8.14
chemicalCompound:chemblId	CHEMBL238520
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:509196
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:2015922, activity:2015931, activity:2015940, activity:2015949, activity:2015958, activity:2015965, activity:2015971, activity:2015978, activity:2015985, activity:2015992, activity:2015999, activity:2016006, activity:2016013, activity:2016025, activity:2016033, activity:2016037, activity:2016038, activity:2016039, activity:2016040, activity:2016045, activity:2016046, activity:2016047, activity:2016053, activity:2016054, activity:2016057, activity:2016059, activity:2016060, activity:2016062, activity:2016064