754198

Source:http://linkedlifedata.com/resource/chembl/compound/754198

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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/C18H15NO/c1-13-6-2-5-9-17(13)19-18(20)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,19,20)
chemicalCompound:standardIn...	JQEADKKZZBWUAQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1NC(=O)c2ccc3ccccc3c2
chemicalCompound:molecularF...	C18H15NO
chemicalCompound:moleculeId	754198
chemicalCompound:mwFreebase	261.318
chemicalCompound:alogp	4.009
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	29.1
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.399
chemicalCompound:acdLogP	3.858
chemicalCompound:acdLogD	3.858
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	261.318
chemicalCompound:acdMostBpk...	1.18
chemicalCompound:chemblId	CHEMBL1330314
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:854198
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:3822741, activity:3833946, activity:4692068, activity:4958416, activity:5442583, activity:5591416, activity:5671108, activity:5906974, activity:6738271, activity:7151941, activity:7352625, activity:7392547