189457

Source:http://linkedlifedata.com/resource/chembl/compound/189457

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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/C31H33NO4/c33-25-15-16-27-28(22-25)36-31(34)30(23-11-4-1-5-12-23)29(27)24-13-10-14-26(21-24)35-20-9-3-8-19-32-17-6-2-7-18-32/h1,4-5,10-16,21-22,33H,2-3,6-9,17-20H2
chemicalCompound:standardIn...	JXTJOXVMKOPREE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4cccc(OCCCCCN5CCCCC5)c4
chemicalCompound:molecularF...	C31 H33 N O4
chemicalCompound:moleculeId	189457
chemicalCompound:mwFreebase	483.598
chemicalCompound:alogp	6.753
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.659
chemicalCompound:acdLogP	6.05
chemicalCompound:acdLogD	3.693
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	483.598
chemicalCompound:acdMostBpk...	9.766
chemicalCompound:chemblId	CHEMBL115489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289457
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:899422, activity:899423, activity:899424