1250173

Source:http://linkedlifedata.com/resource/chembl/compound/1250173

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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/C20H18ClN3O3/c21-13-1-6-16-17(12-22-18(16)11-13)19(25)20(26)23-14-2-4-15(5-3-14)24-7-9-27-10-8-24/h1-6,11-12,22H,7-10H2,(H,23,26)
chemicalCompound:standardIn...	BCSGRGSIUPINQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2c(c[nH]c2c1)C(=O)C(=O)Nc3ccc(cc3)N4CCOCC4
chemicalCompound:molecularF...	C20H18ClN3O3
chemicalCompound:moleculeId	1250173
chemicalCompound:mwFreebase	383.828
chemicalCompound:alogp	3.308
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	74.43
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.412
chemicalCompound:acdLogP	3.608
chemicalCompound:acdLogD	3.604
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.828
chemicalCompound:acdMostBpk...	4.83
chemicalCompound:chemblId	CHEMBL1910578
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1350173
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:7855421, activity:7855477, activity:7855523, activity:7855552