189400

Source:http://linkedlifedata.com/resource/chembl/compound/189400

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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/C28H27NO4/c30-22-11-14-24-25(19-22)33-28(31)27(20-7-3-1-4-8-20)26(24)21-9-12-23(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,30H,2,5-6,15-18H2
chemicalCompound:standardIn...	ZKROPOZVVXSGFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4ccc(OCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C28 H27 N O4
chemicalCompound:moleculeId	189400
chemicalCompound:mwFreebase	441.518
chemicalCompound:alogp	5.654
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.68
chemicalCompound:acdLogP	5.077
chemicalCompound:acdLogD	3.626
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	441.518
chemicalCompound:acdMostBpk...	8.681
chemicalCompound:chemblId	CHEMBL117263
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289400
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:887482, activity:887483, activity:887484