43354

Source:http://linkedlifedata.com/resource/chembl/compound/43354

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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:43354_Brevibloc_TRADE_NAME, synonym:43354_Esmolol_FDA_ALTERNATIVE_NAME, synonym:43354_Esmolol_INN
chemicalCompound:standardIn...	InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
chemicalCompound:standardIn...	AQNDDEOPVVGCPG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
chemicalCompound:molecularF...	C16H25NO4
chemicalCompound:moleculeId	43354
chemicalCompound:mwFreebase	295.374
chemicalCompound:alogp	1.978
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	67.79
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.878
chemicalCompound:acdLogP	1.922
chemicalCompound:acdLogD	-0.179
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	295.374
chemicalCompound:acdMostBpk...	9.433
chemicalCompound:chemblId	CHEMBL768
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:143354
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ESMOLOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4856
chemicalCompound:firstAppro...	1986
chemicalCompound:activity	activity:116483, activity:116484, activity:116485, activity:116486, activity:116487, activity:133170, activity:222674, activity:222675, activity:951450, activity:2364192, activity:3216137, activity:3217359, activity:3217480, activity:5079413, activity:5079693, activity:5080012, activity:5080444, activity:5081062, activity:5322176, activity:5322177, activity:5322178, activity:5322179, activity:5322180, activity:5322181, activity:5322182, activity:5322183, activity:5322184, activity:5322185, activity:5322186, activity:5322187, activity:5322188, activity:5322189, activity:5322190, activity:5322191, activity:5322192, activity:5322193, activity:5328885, activity:7648011, activity:7648012, activity:7648013, activity:7648014, activity:7648015, activity:7648016, activity:7648017, activity:7648018, activity:7648019, activity:7648020, activity:7648021, activity:7648022, activity:7648023, activity:7648024, activity:7648025, activity:7648026, activity:7648027, activity:7648028, activity:7648029, activity:7648030, activity:7648031, activity:7648032, activity:7648033