123977

Source:http://linkedlifedata.com/resource/chembl/compound/123977

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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:123977_Guanoxan_INN
chemicalCompound:standardIn...	InChI=1S/C10H13N3O2/c11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7/h1-4,7H,5-6H2,(H4,11,12,13)
chemicalCompound:standardIn...	HIUVKVDQFXDZHU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=NCC1COc2ccccc2O1)N
chemicalCompound:molecularF...	C10H13N3O2
chemicalCompound:moleculeId	123977
chemicalCompound:mwFreebase	207.229
chemicalCompound:alogp	0.681
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	82.86
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.372
chemicalCompound:acdLogD	-0.627
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	207.229
chemicalCompound:acdMostBpk...	11.989
chemicalCompound:chemblId	CHEMBL76725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:223977
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	GUANOXAN
chemicalCompound:activity	activity:1161625, activity:1161626, activity:3069215, activity:3264692, activity:5170279, activity:5567807, activity:6173693, activity:6712813, activity:7115543