184153

Source:http://linkedlifedata.com/resource/chembl/compound/184153

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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/C20H23N3O/c1-2-3-13-23(15-17-14-21-16-22-17)18-9-11-20(12-10-18)24-19-7-5-4-6-8-19/h4-12,14,16H,2-3,13,15H2,1H3,(H,21,22)
chemicalCompound:standardIn...	OZBVWBNACRHIFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(Cc1c[nH]cn1)c2ccc(Oc3ccccc3)cc2
chemicalCompound:molecularF...	C20 H23 N3 O
chemicalCompound:moleculeId	184153
chemicalCompound:mwFreebase	321.416
chemicalCompound:alogp	4.566
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	41.15
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.374
chemicalCompound:acdLogD	5.157
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.416
chemicalCompound:acdMostBpk...	6.793
chemicalCompound:chemblId	CHEMBL113096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284153
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:578935