921394

Source:http://linkedlifedata.com/resource/chembl/compound/921394

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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/C21H24N4O/c26-21(25-20(11-12-22-25)18-7-3-1-4-8-18)17-23-13-15-24(16-14-23)19-9-5-2-6-10-19/h1-10,12,20H,11,13-17H2
chemicalCompound:standardIn...	VHEIMYWBEICIIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CN1CCN(CC1)c2ccccc2)N3N=CCC3c4ccccc4
chemicalCompound:molecularF...	C21H24N4O
chemicalCompound:moleculeId	921394
chemicalCompound:mwFreebase	348.441
chemicalCompound:alogp	2.635
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	39.15
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.463
chemicalCompound:acdLogD	1.44
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.441
chemicalCompound:acdMostBpk...	5.743
chemicalCompound:chemblId	CHEMBL1497510
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021394
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:4207875, activity:4534012, activity:4536884, activity:6566979