1133

Source:http://linkedlifedata.com/resource/chembl/compound/1133

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
chemicalCompound:standardIn...	IFLSKJWEERCMHE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N=C(N)N=C(N)N1c2ccc(F)cc2
chemicalCompound:molecularF...	C11 H14 F N5
chemicalCompound:moleculeId	1133
chemicalCompound:mwFreebase	235.261
chemicalCompound:alogp	1.164
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	80
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.406
chemicalCompound:acdLogD	-1.376
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	235.261
chemicalCompound:acdMostBpk...	9.578
chemicalCompound:chemblId	CHEMBL7005
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101133
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:358041, activity:383474, activity:491637, activity:530180, activity:573852, activity:573853, activity:658531, activity:658532, activity:658533, activity:658534, activity:658535, activity:658536, activity:658537, activity:658538, activity:969588, activity:969589, activity:1129499, activity:1129500, activity:1464869