1018736

Source:http://linkedlifedata.com/resource/chembl/compound/1018736

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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/C14H15NO2/c1-2-3-8-15-12-9-13(16)14(17)11-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3
chemicalCompound:standardIn...	ASQNOERTHDKPHM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN=C1C=C(O)C(=O)c2ccccc12
chemicalCompound:molecularF...	C14H15NO2
chemicalCompound:moleculeId	1018736
chemicalCompound:mwFreebase	229.274
chemicalCompound:alogp	2.809
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.66
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.654
chemicalCompound:acdLogP	2.052
chemicalCompound:acdLogD	1.538
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	229.274
chemicalCompound:acdMostBpk...	3.309
chemicalCompound:chemblId	CHEMBL1594852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118736
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:4130534, activity:4334603, activity:4686515, activity:4988754, activity:5018816, activity:5019847, activity:5415232, activity:5440583, activity:5605106, activity:5691700, activity:5791175, activity:5977892, activity:6430458, activity:6447187, activity:6588411, activity:6719425, activity:6754050, activity:6888278, activity:6962452, activity:7022938, activity:7184915, activity:7198869, activity:7258184, activity:7370557, activity:7411072, activity:7450716, activity:7464566, activity:7509284