15327

Source:http://linkedlifedata.com/resource/chembl/compound/15327

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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/C19H24FN3O3/c1-4-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12(2)3/h9-12H,4-8H2,1-3H3,(H,25,26)
chemicalCompound:standardIn...	RZZKOYSNEUOTGK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C(C)C
chemicalCompound:molecularF...	C19 H24 F N3 O3
chemicalCompound:moleculeId	15327
chemicalCompound:mwFreebase	361.411
chemicalCompound:alogp	-0.478
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	64.09
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.096
chemicalCompound:acdLogP	2.778
chemicalCompound:acdLogD	0.618
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	361.411
chemicalCompound:acdMostBpk...	7.755
chemicalCompound:chemblId	CHEMBL275411
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115327
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:33808, activity:297611, activity:297612, activity:297613, activity:297614, activity:297615, activity:297616, activity:297617