153629

Source:http://linkedlifedata.com/resource/chembl/compound/153629

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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/C20H22N2O/c1-14(23)21-16-10-8-15(9-11-16)19-13-22-12-4-7-20(22)18-6-3-2-5-17(18)19/h2-3,5-6,8-11,19-20H,4,7,12-13H2,1H3,(H,21,23)
chemicalCompound:standardIn...	VZPUTALYPJAOEI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(cc1)C2CN3CCCC3c4ccccc24
chemicalCompound:molecularF...	C20 H22 N2 O
chemicalCompound:moleculeId	153629
chemicalCompound:mwFreebase	306.401
chemicalCompound:alogp	2.939
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	32.34
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.996
chemicalCompound:acdLogD	0.81
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	306.401
chemicalCompound:acdMostBpk...	8.495
chemicalCompound:chemblId	CHEMBL95153
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253629
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:194679, activity:194680, activity:194681, activity:194682, activity:194683, activity:194684, activity:194685