379191

Source:http://linkedlifedata.com/resource/chembl/compound/379191

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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/C20H23F2N3O2/c1-27-17-4-2-3-16(14-17)25-11-9-24(10-12-25)8-7-20(26)23-19-6-5-15(21)13-18(19)22/h2-6,13-14H,7-12H2,1H3,(H,23,26)
chemicalCompound:standardIn...	KZFDPAVQUPZYMR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)N2CCN(CCC(=O)Nc3ccc(F)cc3F)CC2
chemicalCompound:molecularF...	C20 H23 F2 N3 O2
chemicalCompound:moleculeId	379191
chemicalCompound:mwFreebase	375.412
chemicalCompound:alogp	3.228
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	44.81
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.767
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	2.787
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	375.412
chemicalCompound:acdMostBpk...	6.48
chemicalCompound:chemblId	CHEMBL226309
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479191
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:1871988