842945

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

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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/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)
chemicalCompound:standardIn...	OFXJFUHBRWWAOP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCC(=O)Nc1ccc(cc1Cl)[N+](=O)[O-]
chemicalCompound:molecularF...	C10H11ClN2O4
chemicalCompound:moleculeId	842945
chemicalCompound:mwFreebase	258.658
chemicalCompound:alogp	1.594
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	84.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.519
chemicalCompound:acdLogP	2.046
chemicalCompound:acdLogD	2.046
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	258.658
chemicalCompound:chemblId	CHEMBL1419061
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942945
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:4012526, activity:4129242, activity:4338434, activity:4520949, activity:7523163