588528

Source:http://linkedlifedata.com/resource/chembl/compound/588528

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1038
chemicalCompound:synonym	synonym:588528_GNF-PF-3179_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C12H17N5.ClH/c1-8-5-4-6-9(7-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H
chemicalCompound:standardIn...	OIELBBNGAJGLIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1cccc(c1)N2C(=NC(=NC2(C)C)N)N
chemicalCompound:molecularF...	C12H18ClN5
chemicalCompound:moleculeId	588528
chemicalCompound:mwFreebase	231.297
chemicalCompound:alogp	1.445
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.799
chemicalCompound:acdLogD	-1.144
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	267.758
chemicalCompound:acdMostBpk...	10.25
chemicalCompound:chemblId	CHEMBL602181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:688528
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3034193, activity:3036202, activity:3037984, activity:3039237, activity:6233655, activity:6233778, activity:6234287