88164

Source:http://linkedlifedata.com/resource/chembl/compound/88164

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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/C28H32N2O3/c31-24-9-4-21(5-10-24)27-14-6-22-20-25(32)11-15-28(22)30(27)23-7-12-26(13-8-23)33-19-18-29-16-2-1-3-17-29/h4-5,7-13,15,20,27,31-32H,1-3,6,14,16-19H2
chemicalCompound:standardIn...	DYVRNYHOABJFGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1)C2CCc3cc(O)ccc3N2c4ccc(OCCN5CCCCC5)cc4
chemicalCompound:molecularF...	C28 H32 N2 O3
chemicalCompound:moleculeId	88164
chemicalCompound:mwFreebase	444.565
chemicalCompound:alogp	6.284
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	56.17
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.976
chemicalCompound:acdLogP	5.299
chemicalCompound:acdLogD	3.916
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	444.565
chemicalCompound:acdMostBpk...	8.783
chemicalCompound:chemblId	CHEMBL293297
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188164
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:181562, activity:181563, activity:181564