280751

Source:http://linkedlifedata.com/resource/chembl/compound/280751

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/C16H18N4/c1-3-4-12-5-7-13(8-6-12)20-16-14-9-10-17-15(14)18-11(2)19-16/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
chemicalCompound:standardIn...	PPVLIOOGKSCYSB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1ccc(Nc2[nH]c(C)nc3nccc23)cc1
chemicalCompound:molecularF...	C16 H18 N4
chemicalCompound:moleculeId	280751
chemicalCompound:mwFreebase	266.341
chemicalCompound:alogp	3.433
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	53.6
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.623
chemicalCompound:acdLogD	0.624
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	266.341
chemicalCompound:acdMostBpk...	13.137
chemicalCompound:chemblId	CHEMBL168491
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:380751
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:207021