25057

Source:http://linkedlifedata.com/resource/chembl/compound/25057

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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/C16H15NO/c1-2-11-17-16-12-7-3-5-9-14(12)18-15-10-6-4-8-13(15)16/h2-10,16-17H,1,11H2
chemicalCompound:standardIn...	TUGDGXHNPTXMSW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=CCNC1c2ccccc2Oc3ccccc13
chemicalCompound:molecularF...	C16 H15 N O
chemicalCompound:moleculeId	25057
chemicalCompound:mwFreebase	237.296
chemicalCompound:alogp	3.326
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.192
chemicalCompound:acdLogD	2.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	237.296
chemicalCompound:acdMostBpk...	7.591
chemicalCompound:chemblId	CHEMBL277934
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:125057
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:584821, activity:584822