674764

Source:http://linkedlifedata.com/resource/chembl/compound/674764

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27347
chemicalCompound:synonym	synonym:674764_Acebutolol Hydrochloride_JAN, synonym:674764_Acebutolol_BAN, synonym:674764_Acebutolol_INN, synonym:674764_Acebutolol_USAN, synonym:674764_IL-17803A_RESEARCH_CODE, synonym:674764_M&B-17803A_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C18H28N2O4.ClH/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1H
chemicalCompound:standardIn...	KTUFKADDDORSSI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C
chemicalCompound:molecularF...	C18H29ClN2O4
chemicalCompound:moleculeId	674764
chemicalCompound:mwFreebase	336.426
chemicalCompound:alogp	1.615
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	87.66
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.783
chemicalCompound:acdLogP	1.769
chemicalCompound:acdLogD	-0.296
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	372.887
chemicalCompound:acdMostBpk...	9.401
chemicalCompound:chemblId	CHEMBL1200813
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774764
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ACEBUTOLOL
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2380
chemicalCompound:firstAppro...	1984
chemicalCompound:activity	activity:3708313, activity:5684778