842945

Source:http://linkedlifedata.com/resource/chembl/compound/842945

Download in:

Named Graph Language Inference

Statements in which the resource exists.
Subject	Predicate	Object	Context
chemicalCompound:842945	rdf:type	chembl:ChemicalCompound	lld:chembl
chemicalCompound:842945	chemicalCompound:standardIn...	InChI=1S/C10H11ClN2O4/c1-2-17-6-10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-5H,2,6H2,1H3,(H,12,14)	lld:chembl
chemicalCompound:842945	chemicalCompound:standardIn...	OFXJFUHBRWWAOP-UHFFFAOYSA-N	lld:chembl
chemicalCompound:842945	chemicalCompound:canonicalS...	CCOCC(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]	lld:chembl
chemicalCompound:842945	chemicalCompound:molecularF...	C10H11ClN2O4	lld:chembl
chemicalCompound:842945	chemicalCompound:moleculeId	842945	lld:chembl
chemicalCompound:842945	chemicalCompound:mwFreebase	258.658	lld:chembl
chemicalCompound:842945	chemicalCompound:alogp	1.594	lld:chembl
chemicalCompound:842945	chemicalCompound:hba	4	lld:chembl
chemicalCompound:842945	chemicalCompound:hbd	1	lld:chembl
chemicalCompound:842945	chemicalCompound:psa	84.15	lld:chembl
chemicalCompound:842945	chemicalCompound:rtb	5	lld:chembl
chemicalCompound:842945	chemicalCompound:ro3Pass	N	lld:chembl
chemicalCompound:842945	chemicalCompound:numRo5viol...	0	lld:chembl
chemicalCompound:842945	chemicalCompound:medChemFri...	N	lld:chembl
chemicalCompound:842945	chemicalCompound:acdMostApk...	11.519	lld:chembl
chemicalCompound:842945	chemicalCompound:acdLogP	2.046	lld:chembl
chemicalCompound:842945	chemicalCompound:acdLogD	2.046	lld:chembl
chemicalCompound:842945	chemicalCompound:molecularS...	molecularSpecies:NEUTRAL	lld:chembl
chemicalCompound:842945	chemicalCompound:fullMwt	258.658	lld:chembl
chemicalCompound:842945	chemicalCompound:chemblId	CHEMBL1419061	lld:chembl
chemicalCompound:842945	chemicalCompound:maxPhase	0	lld:chembl
chemicalCompound:842945	chemicalCompound:therapeuti...	0	lld:chembl
chemicalCompound:842945	chemicalCompound:dosedIngre...	No	lld:chembl
chemicalCompound:842945	chemicalCompound:structureT...	structureType:MOL	lld:chembl
chemicalCompound:842945	chemicalCompound:chebi	https://linkedlifedata.com/...	lld:chembl
chemicalCompound:842945	chemicalCompound:moleculeTy...	moleculeType:Small molecule	lld:chembl
chemicalCompound:842945	chemicalCompound:oral	No	lld:chembl
chemicalCompound:842945	chemicalCompound:parenteral	No	lld:chembl
chemicalCompound:842945	chemicalCompound:topical	No	lld:chembl
chemicalCompound:842945	chemicalCompound:blackBoxWa...	No	lld:chembl
chemicalCompound:842945	chemicalCompound:naturalPro...	No	lld:chembl
chemicalCompound:842945	chemicalCompound:proDrug	No	lld:chembl
chemicalCompound:842945	chemicalCompound:activity	activity:4012526	lld:chembl
chemicalCompound:842945	chemicalCompound:activity	activity:4129242	lld:chembl
chemicalCompound:842945	chemicalCompound:activity	activity:4338434	lld:chembl
chemicalCompound:842945	chemicalCompound:activity	activity:4520949	lld:chembl
chemicalCompound:842945	chemicalCompound:activity	activity:7523163	lld:chembl
http://linkedlifedata.com/r...	http://linkedlifedata.com/r...	chemicalCompound:842945	lld:chembl