88408

Source:http://linkedlifedata.com/resource/chembl/compound/88408

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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/C21H16N6O/c28-20(16-5-3-10-23-14-16)25-17-6-1-7-18(12-17)26-21-24-11-8-19(27-21)15-4-2-9-22-13-15/h1-14H,(H,25,28)(H,24,26,27)
chemicalCompound:standardIn...	QOFWWNRCEIPMLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1cccc(Nc2nccc(n2)c3cccnc3)c1)c4cccnc4
chemicalCompound:molecularF...	C21 H16 N6 O
chemicalCompound:moleculeId	88408
chemicalCompound:mwFreebase	368.391
chemicalCompound:alogp	1.915
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	92.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.913
chemicalCompound:acdLogP	2.561
chemicalCompound:acdLogD	2.561
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.391
chemicalCompound:acdMostBpk...	3.412
chemicalCompound:chemblId	CHEMBL418270
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188408
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:933469, activity:933470, activity:933471, activity:933472, activity:933473, activity:933474, activity:933475, activity:933476