674511

Source:http://linkedlifedata.com/resource/chembl/compound/674511

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1202
chemicalCompound:synonym	synonym:674511_Guanabenz Acetate_JAN, synonym:674511_Guanabenz Acetate_USAN, synonym:674511_WY-8678_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)/b13-4+;
chemicalCompound:standardIn...	MCSPBPXATWBACD-GAYQJXMFSA-N
chemicalCompound:canonicalS...	CC(=O)O.NC(=N)N\N=C\c1c(Cl)cccc1Cl
chemicalCompound:molecularF...	C10H12Cl2N4O2
chemicalCompound:moleculeId	674511
chemicalCompound:mwFreebase	231.082
chemicalCompound:alogp	2.192
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	76.75
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.632
chemicalCompound:acdLogD	1.192
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.134
chemicalCompound:acdMostBpk...	7.656
chemicalCompound:chemblId	CHEMBL1200560
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774511
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	GUANABENZ ACETATE
chemicalCompound:firstAppro...	1982
chemicalCompound:activity	activity:3481327, activity:3481358, activity:3481373, activity:3481424, activity:3481592, activity:3481605, activity:3482507, activity:3492458, activity:3625986, activity:3635965, activity:3695118, activity:3777210, activity:3987982, activity:4278452, activity:4402419, activity:4535768, activity:4538146, activity:4745824, activity:4944459, activity:4966318, activity:5076917, activity:5317439, activity:5318390, activity:5319341, activity:5856641, activity:7008782, activity:7528233