11844

Source:http://linkedlifedata.com/resource/chembl/compound/11844

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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/C27H31NO2/c1-3-28(4-2)20-21-30-26-17-13-24(14-18-26)27(23-11-15-25(29)16-12-23)19-10-22-8-6-5-7-9-22/h5-9,11-19,29H,3-4,10,20-21H2,1-2H3/b27-19+
chemicalCompound:standardIn...	PTTNYJOCEDSWPD-ZXVVBBHZSA-N
chemicalCompound:canonicalS...	CCN(CC)CCOc1ccc(cc1)\C(=C\Cc2ccccc2)\c3ccc(O)cc3
chemicalCompound:molecularF...	C27 H31 N O2
chemicalCompound:moleculeId	11844
chemicalCompound:mwFreebase	401.541
chemicalCompound:alogp	6.328
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	32.7
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.251
chemicalCompound:acdLogP	5.559
chemicalCompound:acdLogD	3.377
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	401.541
chemicalCompound:acdMostBpk...	9.638
chemicalCompound:chemblId	CHEMBL12867
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111844
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:645820, activity:645821, activity:645822, activity:645823, activity:645824, activity:645825