122343

Source:http://linkedlifedata.com/resource/chembl/compound/122343

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/C17H17ClN2O4/c1-17(2,15(21)22)24-12-9-7-11(8-10-12)19-16(23)20-14-6-4-3-5-13(14)18/h3-10H,1-2H3,(H,21,22)(H2,19,20,23)
chemicalCompound:standardIn...	UAZCOOYMWDLPRN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Oc1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(=O)O
chemicalCompound:molecularF...	C17 H17 Cl N2 O4
chemicalCompound:moleculeId	122343
chemicalCompound:mwFreebase	348.781
chemicalCompound:alogp	3.448
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	87.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.308
chemicalCompound:acdLogP	1.877
chemicalCompound:acdLogD	-1.706
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	348.781
chemicalCompound:acdMostBpk...	0.607
chemicalCompound:chemblId	CHEMBL76026
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222343
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:574683, activity:574684, activity:574685, activity:574686