189440

Source:http://linkedlifedata.com/resource/chembl/compound/189440

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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/c31-23-12-15-25-26(20-23)34-29(32)28(21-8-3-1-4-9-21)27(25)22-10-13-24(14-11-22)33-19-7-18-30-16-5-2-6-17-30/h1,3-4,8-15,20,31H,2,5-7,16-19H2
chemicalCompound:standardIn...	MKHWLAQBNKVULY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4ccc(OCCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C29 H29 N O4
chemicalCompound:moleculeId	189440
chemicalCompound:mwFreebase	455.545
chemicalCompound:alogp	5.716
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.699
chemicalCompound:acdLogP	4.91
chemicalCompound:acdLogD	2.611
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	455.545
chemicalCompound:acdMostBpk...	9.69
chemicalCompound:chemblId	CHEMBL115194
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289440
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:870287, activity:870288, activity:870289