189517

Source:http://linkedlifedata.com/resource/chembl/compound/189517

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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/C29H29NO4/c31-23-11-14-25-26(28(22-7-3-1-4-8-22)29(32)34-27(25)20-23)19-21-9-12-24(13-10-21)33-18-17-30-15-5-2-6-16-30/h1,3-4,7-14,20,31H,2,5-6,15-19H2
chemicalCompound:standardIn...	FUZXGDHCHIXSHE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)Cc4ccc(OCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C29 H29 N O4
chemicalCompound:moleculeId	189517
chemicalCompound:mwFreebase	455.545
chemicalCompound:alogp	6.11
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.85
chemicalCompound:acdLogP	5.8
chemicalCompound:acdLogD	4.385
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.545
chemicalCompound:acdMostBpk...	8.683
chemicalCompound:chemblId	CHEMBL439967
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289517
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:896916, activity:896917, activity:896918