22786

Source:http://linkedlifedata.com/resource/chembl/compound/22786

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/C12H14N4/c1-8-3-2-4-9(5-8)6-10-7-15-12(14)16-11(10)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16)
chemicalCompound:standardIn...	RWFMFIBVNGVPBZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(Cc2cnc(N)nc2N)c1
chemicalCompound:molecularF...	C12 H14 N4
chemicalCompound:moleculeId	22786
chemicalCompound:mwFreebase	214.266
chemicalCompound:alogp	2.078
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	77.81
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.046
chemicalCompound:acdLogD	1.858
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	214.266
chemicalCompound:acdMostBpk...	7.125
chemicalCompound:chemblId	CHEMBL19406
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122786
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:47621, activity:47622, activity:125143, activity:377202, activity:413709, activity:413710, activity:495171, activity:495172, activity:522176, activity:560557, activity:653980, activity:654361, activity:660124, activity:728466, activity:728467, activity:878879, activity:975993, activity:975994, activity:975995, activity:990762, activity:990763, activity:990764, activity:990765, activity:1012687, activity:1012688, activity:1012689, activity:1075995, activity:1075996, activity:1165414