122511

Source:http://linkedlifedata.com/resource/chembl/compound/122511

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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/C29H24N6O6/c1-3-38-28-30-23-10-6-9-22(27(36)39-16-24-17(2)40-29(37)41-24)25(23)35(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-31-33-34-32-26/h4-14H,3,15-16H2,1-2H3,(H,31,32,33,34)
chemicalCompound:standardIn...	AGYJKWLACPVLLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc2cccc(C(=O)OCC3=C(C)OC(=O)O3)c2n1Cc4ccc(cc4)c5ccccc5c6nn[nH]n6
chemicalCompound:molecularF...	C29 H24 N6 O6
chemicalCompound:moleculeId	122511
chemicalCompound:mwFreebase	552.537
chemicalCompound:alogp	5.234
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	143.34
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.241
chemicalCompound:acdLogP	5.578
chemicalCompound:acdLogD	3.608
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	552.537
chemicalCompound:acdMostBpk...	4.065
chemicalCompound:chemblId	CHEMBL311654
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222511
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:1215731, activity:1215732, activity:1215733, activity:1215734, activity:1215735, activity:1215736, activity:1215737, activity:1215738