568925

Source:http://linkedlifedata.com/resource/chembl/compound/568925

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/C18H24N4/c1-15-5-7-17(8-6-15)20-21-18-11-9-16(10-12-18)19-13-4-14-22(2)3/h5-12,19H,4,13-14H2,1-3H3/b21-20+
chemicalCompound:standardIn...	NFDFFDOHXUMIIW-QZQOTICOSA-N
chemicalCompound:canonicalS...	CN(C)CCCNc1ccc(cc1)N=Nc2ccc(C)cc2
chemicalCompound:molecularF...	C18H24N4
chemicalCompound:moleculeId	568925
chemicalCompound:mwFreebase	296.41
chemicalCompound:alogp	4.695
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	39.99
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.037
chemicalCompound:acdLogD	1.964
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	296.41
chemicalCompound:acdMostBpk...	9.511
chemicalCompound:chemblId	CHEMBL584359
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668925
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:2913543, activity:2913601, activity:2913659, activity:2913717, activity:2913775, activity:2914205, activity:2914263, activity:2914296, activity:2914354, activity:2914412, activity:2914426, activity:2914438, activity:2914450, activity:2914459