674330

Source:http://linkedlifedata.com/resource/chembl/compound/674330

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27495
chemicalCompound:synonym	synonym:674330_AL-02145_RESEARCH_CODE, synonym:674330_Apraclonidine Hydrochloride_USAN, synonym:674330_Apraclonidine_BAN, synonym:674330_Apraclonidine_INN
chemicalCompound:standardIn...	InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H
chemicalCompound:standardIn...	OTQYGBJVDRBCHC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
chemicalCompound:molecularF...	C9H11Cl3N4
chemicalCompound:moleculeId	674330
chemicalCompound:mwFreebase	245.109
chemicalCompound:alogp	1.607
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	62.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.683
chemicalCompound:acdLogD	0.263
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	281.569
chemicalCompound:acdMostBpk...	9.26
chemicalCompound:chemblId	CHEMBL1200379
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774330
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	APRACLONIDINE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:2789
chemicalCompound:firstAppro...	1987
chemicalCompound:activity	activity:3490890, activity:3988130, activity:4084747, activity:4278576, activity:4745953, activity:4925777, activity:5340898, activity:5726207, activity:6809673, activity:7012548, activity:7451749