182573

Source:http://linkedlifedata.com/resource/chembl/compound/182573

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/C23H14N2O6/c1-30-19-9-7-12(20-24-16-4-2-3-5-18(16)31-20)11-17(19)25-21(26)14-8-6-13(23(28)29)10-15(14)22(25)27/h2-11H,1H3,(H,28,29)
chemicalCompound:standardIn...	KSUQVCWZKHNZTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1N2C(=O)c3ccc(cc3C2=O)C(=O)O)c4oc5ccccc5n4
chemicalCompound:molecularF...	C23 H14 N2 O6
chemicalCompound:moleculeId	182573
chemicalCompound:mwFreebase	414.367
chemicalCompound:alogp	3.503
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	109.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.309
chemicalCompound:acdLogP	3.151
chemicalCompound:acdLogD	0.048
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	414.367
chemicalCompound:acdMostBpk...	1.155
chemicalCompound:chemblId	CHEMBL109471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282573
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:35520, activity:35521