873413

Source:http://linkedlifedata.com/resource/chembl/compound/873413

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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/C21H22N2O2/c1-4-13-23(19-12-8-5-9-15(19)2)21(25)18-14-22(3)20(24)17-11-7-6-10-16(17)18/h5-12,14H,4,13H2,1-3H3
chemicalCompound:standardIn...	YQJXRRVXSSRHFD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(C(=O)C1=CN(C)C(=O)c2ccccc12)c3ccccc3C
chemicalCompound:molecularF...	C21H22N2O2
chemicalCompound:moleculeId	873413
chemicalCompound:mwFreebase	334.412
chemicalCompound:alogp	3.242
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.057
chemicalCompound:acdLogD	3.057
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.412
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1449529
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:973413
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:5658998, activity:6706945, activity:6885512, activity:7508762, activity:10590187