1221765

Source:http://linkedlifedata.com/resource/chembl/compound/1221765

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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/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
chemicalCompound:standardIn...	NVGOPFQZYCNLDU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
chemicalCompound:molecularF...	C12H9ClF3N3O
chemicalCompound:moleculeId	1221765
chemicalCompound:mwFreebase	303.668
chemicalCompound:alogp	2.023
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	44.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.154
chemicalCompound:acdLogD	2.154
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	303.668
chemicalCompound:acdMostBpk...	1.107
chemicalCompound:chemblId	CHEMBL1881194
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1321765
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:6445124, activity:6558641, activity:6958468