418969

Source:http://linkedlifedata.com/resource/chembl/compound/418969

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H21N7O2/c1-23-7-9-24(10-8-23)13-17(26)20-15-12-16(25-6-3-5-19-25)22-18(21-15)14-4-2-11-27-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,21,22,26)
chemicalCompound:standardIn...	QMZAMLTVEASZQQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC(=O)Nc2cc(nc(n2)c3occc3)n4cccn4)CC1
chemicalCompound:molecularF...	C18H21N7O2
chemicalCompound:moleculeId	418969
chemicalCompound:mwFreebase	367.405
chemicalCompound:alogp	1.455
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.455
chemicalCompound:acdLogP	2.05
chemicalCompound:acdLogD	1.779
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.405
chemicalCompound:acdMostBpk...	7.415
chemicalCompound:chemblId	CHEMBL251975
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518969
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:2067949, activity:2067953, activity:2067958, activity:2067966, activity:2067967, activity:2067968, activity:2067969, activity:2067970, activity:2067971, activity:2067972, activity:2067973, activity:2067977, activity:2067978, activity:2117661, activity:2117662, activity:2117663, activity:2398007, activity:2398008