255370

Source:http://linkedlifedata.com/resource/chembl/compound/255370

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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:255370_Xibenolol_OTHER
chemicalCompound:standardIn...	InChI=1S/C15H25NO2/c1-11-7-6-8-14(12(11)2)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
chemicalCompound:standardIn...	RKUQLAPSGZJLGP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(OCC(O)CNC(C)(C)C)c1C
chemicalCompound:molecularF...	C15 H25 N O2
chemicalCompound:moleculeId	255370
chemicalCompound:mwFreebase	251.364
chemicalCompound:alogp	2.809
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	41.48
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.938
chemicalCompound:acdLogP	2.832
chemicalCompound:acdLogD	0.589
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	251.364
chemicalCompound:acdMostBpk...	9.599
chemicalCompound:chemblId	CHEMBL347795
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355370
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	XIBENOLOL
chemicalCompound:activity	activity:129260