379186

Source:http://linkedlifedata.com/resource/chembl/compound/379186

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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/C19H20ClF2N3O/c20-15-3-1-2-4-18(15)25-11-9-24(10-12-25)8-7-19(26)23-17-6-5-14(21)13-16(17)22/h1-6,13H,7-12H2,(H,23,26)
chemicalCompound:standardIn...	ZOBAANBLWZHPST-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(NC(=O)CCN2CCN(CC2)c3ccccc3Cl)c(F)c1
chemicalCompound:molecularF...	C19 H20 Cl F2 N3 O
chemicalCompound:moleculeId	379186
chemicalCompound:mwFreebase	379.831
chemicalCompound:alogp	3.909
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.767
chemicalCompound:acdLogP	3.155
chemicalCompound:acdLogD	3.14
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	379.831
chemicalCompound:acdMostBpk...	6.374
chemicalCompound:chemblId	CHEMBL226246
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479186
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:1871991