208184

Source:http://linkedlifedata.com/resource/chembl/compound/208184

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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/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2
chemicalCompound:standardIn...	UKTAZPQNNNJVKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(OC1CC2CC3CC(C1)N2CC3=O)c4c[nH]c5ccccc45
chemicalCompound:molecularF...	C19 H20 N2 O3
chemicalCompound:moleculeId	208184
chemicalCompound:mwFreebase	324.374
chemicalCompound:alogp	2.035
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	62.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.571
chemicalCompound:acdLogD	2.541
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	324.374
chemicalCompound:acdMostBpk...	6.219
chemicalCompound:chemblId	CHEMBL124754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:308184
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:5218960