255547

Source:http://linkedlifedata.com/resource/chembl/compound/255547

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:255547_Nipradilol_OTHER
chemicalCompound:standardIn...	InChI=1S/C15H22N2O6/c1-10(2)16-7-12(18)8-21-14-5-3-4-11-6-13(23-17(19)20)9-22-15(11)14/h3-5,10,12-13,16,18H,6-9H2,1-2H3
chemicalCompound:standardIn...	OMCPLEZZPVJJIS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1cccc2CC(COc12)O[N+](=O)[O-]
chemicalCompound:molecularF...	C15 H22 N2 O6
chemicalCompound:moleculeId	255547
chemicalCompound:mwFreebase	326.345
chemicalCompound:alogp	3.589
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	105.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.897
chemicalCompound:acdLogP	1.91
chemicalCompound:acdLogD	0.11
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	326.345
chemicalCompound:acdMostBpk...	9.095
chemicalCompound:chemblId	CHEMBL155622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355547
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	NIPRADILOL
chemicalCompound:activity	activity:135590, activity:135591, activity:135592, activity:135593, activity:135594