633248

Source:http://linkedlifedata.com/resource/chembl/compound/633248

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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/C19H19ClF2N2O/c20-14-4-1-3-12(9-14)15-5-2-6-16(21)18(15)19(25)24-10-13-7-8-23-11-17(13)22/h1-6,9,13,17,23H,7-8,10-11H2,(H,24,25)/t13-,17-/m1/s1
chemicalCompound:standardIn...	JGFRSSUKDACYEW-CXAGYDPISA-N
chemicalCompound:canonicalS...	F[C@@H]1CNCC[C@@H]1CNC(=O)c2c(F)cccc2c3cccc(Cl)c3
chemicalCompound:molecularF...	C19H19ClF2N2O
chemicalCompound:moleculeId	633248
chemicalCompound:mwFreebase	364.817
chemicalCompound:alogp	3.558
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	41.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.56
chemicalCompound:acdLogP	2.029
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.817
chemicalCompound:acdMostBpk...	8.404
chemicalCompound:chemblId	CHEMBL1083003
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733248
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:3312828, activity:3312829, activity:3312830