300211

Source:http://linkedlifedata.com/resource/chembl/compound/300211

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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/C16H15NO3/c1-20-16-9-11(6-8-15(16)19)5-7-14(18)12-3-2-4-13(17)10-12/h2-10,19H,17H2,1H3/b7-5+
chemicalCompound:standardIn...	ZUMQQRYAVWPSOP-FNORWQNLSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\C(=O)c2cccc(N)c2)ccc1O
chemicalCompound:molecularF...	C16H15NO3
chemicalCompound:moleculeId	300211
chemicalCompound:mwFreebase	269.295
chemicalCompound:alogp	2.696
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	72.55
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.712
chemicalCompound:acdLogP	1.655
chemicalCompound:acdLogD	1.653
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	269.295
chemicalCompound:acdMostBpk...	3.223
chemicalCompound:chemblId	CHEMBL181173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:400211
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:1423823, activity:1423824, activity:1423825, activity:1423826, activity:1423927, activity:1423928, activity:1423929, activity:1423930, activity:2143267, activity:2143281, activity:2143303, activity:2143317, activity:2268388, activity:3254903, activity:3254987