26667

Source:http://linkedlifedata.com/resource/chembl/compound/26667

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:26667_LY-163443_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H22N4O3/c1-3-4-18-15(7-10-17(13(2)25)20(18)26)12-27-16-8-5-14(6-9-16)11-19-21-23-24-22-19/h5-10,26H,3-4,11-12H2,1-2H3,(H,21,22,23,24)
chemicalCompound:standardIn...	OKLGLROKXFUYEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1c(COc2ccc(Cc3nn[nH]n3)cc2)ccc(C(=O)C)c1O
chemicalCompound:molecularF...	C20 H22 N4 O3
chemicalCompound:moleculeId	26667
chemicalCompound:mwFreebase	366.414
chemicalCompound:alogp	3.797
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	100.99
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.108
chemicalCompound:acdLogP	2.977
chemicalCompound:acdLogD	1.153
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	366.414
chemicalCompound:acdMostBpk...	0.87
chemicalCompound:chemblId	CHEMBL278561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:126667
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LY-163443
chemicalCompound:activity	activity:428742, activity:1253698