1012528

Source:http://linkedlifedata.com/resource/chembl/compound/1012528

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/C14H11N3O5/c18-12-6-5-8(13(19)20)7-11(12)16-14(21)15-9-3-1-2-4-10(9)17(16)22/h1-7,18,22H,(H,15,21)(H,19,20)
chemicalCompound:standardIn...	MLWXMBUSYSRCCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ON1N(C(=O)Nc2ccccc12)c3cc(ccc3O)C(=O)O
chemicalCompound:molecularF...	C14H11N3O5
chemicalCompound:moleculeId	1012528
chemicalCompound:mwFreebase	301.254
chemicalCompound:alogp	1.384
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	113.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-3.686
chemicalCompound:acdLogP	1.046
chemicalCompound:acdLogD	-3.716
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	301.254
chemicalCompound:chemblId	CHEMBL1588644
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1112528
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:3654581, activity:3734746, activity:3933503, activity:4403630, activity:4840409, activity:4906893, activity:5364960, activity:5559569, activity:5625063, activity:5772030, activity:5973411, activity:7016191, activity:7213131, activity:7493969