646794

Source:http://linkedlifedata.com/resource/chembl/compound/646794

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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/C22H17ClN4O2/c23-16-3-5-17(6-4-16)26-22(28)27-18-7-11-20(12-8-18)29-19-9-1-15(2-10-19)21-24-13-14-25-21/h1-14H,(H,24,25)(H2,26,27,28)
chemicalCompound:standardIn...	VLHHWGHUZQRFHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=O)Nc2ccc(Oc3ccc(cc3)c4ncc[nH]4)cc2)cc1
chemicalCompound:molecularF...	C22H17ClN4O2
chemicalCompound:moleculeId	646794
chemicalCompound:mwFreebase	404.849
chemicalCompound:alogp	4.559
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	79.03
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.186
chemicalCompound:acdLogP	5.445
chemicalCompound:acdLogD	5.23
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.849
chemicalCompound:acdMostBpk...	6.791
chemicalCompound:chemblId	CHEMBL1164585
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:746794
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:3342343, activity:3342344