359274

Source:http://linkedlifedata.com/resource/chembl/compound/359274

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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/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
chemicalCompound:standardIn...	MEVFKTVEGJUHHI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3
chemicalCompound:molecularF...	C23 H28 N2 O3
chemicalCompound:moleculeId	359274
chemicalCompound:mwFreebase	380.48
chemicalCompound:alogp	-0.018
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	60.85
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.833
chemicalCompound:acdLogP	2.519
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	380.48
chemicalCompound:acdMostBpk...	8.916
chemicalCompound:chemblId	CHEMBL216239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:459274
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CARBOXYFENTANYL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:61106
chemicalCompound:activity	activity:1767672, activity:1767681, activity:1767693, activity:1767694, activity:1995518, activity:1995528, activity:1995538, activity:1995539, activity:1995606, activity:1995616, activity:6385003, activity:6385006, activity:6385009, activity:6385012