163354

Source:http://linkedlifedata.com/resource/chembl/compound/163354

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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/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-14(21-25-15(22)24)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
chemicalCompound:standardIn...	LKDLMWDDCKMZNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(Cl)cc1CN2C(=O)ON=C2c3ccc(cc3)C(F)(F)F
chemicalCompound:molecularF...	C16 H10 Cl F3 N2 O3
chemicalCompound:moleculeId	163354
chemicalCompound:mwFreebase	370.71
chemicalCompound:alogp	4.488
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	62.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.366
chemicalCompound:acdLogP	3.985
chemicalCompound:acdLogD	3.98
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.71
chemicalCompound:chemblId	CHEMBL329521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:263354
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:384487