675128

Source:http://linkedlifedata.com/resource/chembl/compound/675128

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:675188
chemicalCompound:synonym	synonym:675128_Levobunolol Hydrochloride_USAN, synonym:675128_Levobunolol_BAN, synonym:675128_Levobunolol_INN, synonym:675128_W-7000A_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1
chemicalCompound:standardIn...	DNTDOBSIBZKFCP-YDALLXLXSA-N
chemicalCompound:canonicalS...	Cl.CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	675128
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	2.358
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.839
chemicalCompound:acdLogP	1.963
chemicalCompound:acdLogD	-0.115
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	9.518
chemicalCompound:chemblId	CHEMBL1201177
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775128
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	LEVOBUNOLOL HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:6439
chemicalCompound:firstAppro...	1985
chemicalCompound:activity	activity:6447171, activity:6461018