142502

Source:http://linkedlifedata.com/resource/chembl/compound/142502

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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/C23H24N2O4/c1-4-28-22(26)18-15(3)25-21(16-11-7-6-8-12-16)20(23(27)29-5-2)19(18)17-13-9-10-14-24-17/h6-14,19,26H,4-5H2,1-3H3/b22-18+
chemicalCompound:standardIn...	QHYDNYDBCGHTJQ-RELWKKBWSA-N
chemicalCompound:canonicalS...	CCO\C(=C/1\C(C(=C(N=C1C)c2ccccc2)C(=O)OCC)c3ccccn3)\O
chemicalCompound:molecularF...	C23 H24 N2 O4
chemicalCompound:moleculeId	142502
chemicalCompound:mwFreebase	392.448
chemicalCompound:alogp	3.385
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	81.01
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.819
chemicalCompound:acdLogP	4.599
chemicalCompound:acdLogD	4.557
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.448
chemicalCompound:acdMostBpk...	4.167
chemicalCompound:chemblId	CHEMBL89874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:242502
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:317272, activity:317273, activity:317274, activity:317275