1369

Source:http://linkedlifedata.com/resource/chembl/compound/1369

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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/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
chemicalCompound:standardIn...	QQBDLJCYGRGAKP-FOCLMDBBSA-N
chemicalCompound:canonicalS...	OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(=O)O
chemicalCompound:molecularF...	C14 H10 N2 O6
chemicalCompound:moleculeId	1369
chemicalCompound:mwFreebase	302.239
chemicalCompound:alogp	2.974
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	139.78
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.735
chemicalCompound:acdLogP	3.568
chemicalCompound:acdLogD	-0.582
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	302.239
chemicalCompound:chemblId	CHEMBL425
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101369
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:firstAppro...	1990
chemicalCompound:activity	activity:3757024, activity:4550804, activity:7549733, activity:10402110