37872

Source:http://linkedlifedata.com/resource/chembl/compound/37872

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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/C16H17FN2O4/c1-2-18-9-11(16(21)22)15(20)10-7-12(17)14(8-13(10)18)19-3-5-23-6-4-19/h7-9H,2-6H2,1H3,(H,21,22)
chemicalCompound:standardIn...	CWGUZPQPISQBPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCOCC3
chemicalCompound:molecularF...	C16 H17 F N2 O4
chemicalCompound:moleculeId	37872
chemicalCompound:mwFreebase	320.316
chemicalCompound:alogp	1.56
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	70.08
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.43
chemicalCompound:acdLogP	2.454
chemicalCompound:acdLogD	0.479
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	320.316
chemicalCompound:acdMostBpk...	1.181
chemicalCompound:chemblId	CHEMBL26154
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:137872
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:599280, activity:599281, activity:599282, activity:599283, activity:599284, activity:599285, activity:599286, activity:599287, activity:599288, activity:599289, activity:599290, activity:599291, activity:599292, activity:895769, activity:895770, activity:895771