189411

Source:http://linkedlifedata.com/resource/chembl/compound/189411

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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/C32H35NO4/c34-26-15-18-28-29(23-26)37-32(35)31(24-11-5-3-6-12-24)30(28)25-13-16-27(17-14-25)36-22-10-2-1-7-19-33-20-8-4-9-21-33/h3,5-6,11-18,23,34H,1-2,4,7-10,19-22H2
chemicalCompound:standardIn...	BTDBDOGYGNDRGU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4ccc(OCCCCCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C32 H35 N O4
chemicalCompound:moleculeId	189411
chemicalCompound:mwFreebase	497.625
chemicalCompound:alogp	7.209
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	59
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.711
chemicalCompound:acdLogP	6.864
chemicalCompound:acdLogD	4.482
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	497.625
chemicalCompound:acdMostBpk...	9.814
chemicalCompound:chemblId	CHEMBL421892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:289411
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:903050, activity:903051, activity:903052