507857

Source:http://linkedlifedata.com/resource/chembl/compound/507857

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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/C27H26FN3O2/c1-3-4-5-18-6-15-25-23(16-18)24(26(30-25)19-9-13-22(33-2)14-10-19)17-29-31-27(32)20-7-11-21(28)12-8-20/h6-17,30H,3-5H2,1-2H3,(H,31,32)/b29-17+
chemicalCompound:standardIn...	ATOWNVSRJPVTJX-STBIYBPSSA-N
chemicalCompound:canonicalS...	CCCCc1ccc2[nH]c(c(\C=N\NC(=O)c3ccc(F)cc3)c2c1)c4ccc(OC)cc4
chemicalCompound:molecularF...	C27H26FN3O2
chemicalCompound:moleculeId	507857
chemicalCompound:mwFreebase	443.513
chemicalCompound:alogp	6.83
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	66.48
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.062
chemicalCompound:acdLogP	5.835
chemicalCompound:acdLogD	5.835
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443.513
chemicalCompound:chemblId	CHEMBL488554
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:607857
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:2349991, activity:2350006, activity:2350035, activity:2350040, activity:2350047, activity:2350049, activity:2350050, activity:2350062