728984

Source:http://linkedlifedata.com/resource/chembl/compound/728984

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C13H11ClN2O4/c14-12-10(4-1-5-15-12)13(18)20-8-11(17)16-7-9-3-2-6-19-9/h1-6H,7-8H2,(H,16,17)
chemicalCompound:standardIn...	DXGASSQCHDILPZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ncccc1C(=O)OCC(=O)NCc2occc2
chemicalCompound:molecularF...	C13H11ClN2O4
chemicalCompound:moleculeId	728984
chemicalCompound:mwFreebase	294.69
chemicalCompound:alogp	1.233
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	81.43
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.667
chemicalCompound:acdLogP	0.88
chemicalCompound:acdLogD	0.88
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	294.69
chemicalCompound:chemblId	CHEMBL1305100
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:828984
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:3798906, activity:3927965, activity:4240667, activity:4320119, activity:4868081, activity:5067201, activity:5559575, activity:6852421, activity:6971328, activity:7016234