34869

Source:http://linkedlifedata.com/resource/chembl/compound/34869

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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/C18H15N3O3/c22-17(15-3-1-2-4-16(15)18(23)24)20-14-7-5-13(6-8-14)11-21-10-9-19-12-21/h1-10,12H,11H2,(H,20,22)(H,23,24)
chemicalCompound:standardIn...	WFGQFUYOPCFLLR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1C(=O)Nc2ccc(Cn3ccnc3)cc2
chemicalCompound:molecularF...	C18 H15 N3 O3
chemicalCompound:moleculeId	34869
chemicalCompound:mwFreebase	321.33
chemicalCompound:alogp	1.921
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	84.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.447
chemicalCompound:acdLogP	1.178
chemicalCompound:acdLogD	-1.712
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	321.33
chemicalCompound:acdMostBpk...	6.826
chemicalCompound:chemblId	CHEMBL27338
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134869
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:633714