838571

Source:http://linkedlifedata.com/resource/chembl/compound/838571

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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/C15H13N3O3/c1-8(15(20)21)17-14(19)12-6-10-9-4-2-3-5-11(9)18-13(10)7-16-12/h2-8,16H,1H3,(H,17,19)(H,20,21)/t8-/m0/s1
chemicalCompound:standardIn...	HAAQQMYEUONBHT-QMMMGPOBSA-N
chemicalCompound:canonicalS...	C[C@H](NC(=O)c1cc2c(c[nH]1)nc3ccccc23)C(=O)O
chemicalCompound:molecularF...	C15H13N3O3
chemicalCompound:moleculeId	838571
chemicalCompound:mwFreebase	283.282
chemicalCompound:alogp	1.912
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	95.08
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.822
chemicalCompound:acdLogP	1.719
chemicalCompound:acdLogD	-0.781
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	283.282
chemicalCompound:acdMostBpk...	10.661
chemicalCompound:chemblId	CHEMBL1414687
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:938571
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:3657217, activity:3791195, activity:4371973, activity:4415074, activity:4849908, activity:5359760, activity:5503631, activity:5732372, activity:5829052, activity:6436510, activity:6765593, activity:6795698, activity:6933300, activity:7014007, activity:7039131, activity:7070496, activity:7101424, activity:7428311, activity:7468445, activity:7553208, activity:9791473, activity:10433568