130249

Source:http://linkedlifedata.com/resource/chembl/compound/130249

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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/C19H22N2O4/c1-3-7-15-17-16(21(13(2)22)18(15)23)10-11-20(17)19(24)25-12-14-8-5-4-6-9-14/h3-6,8-9,15-17H,1,7,10-12H2,2H3/t15?,16-,17?/m0/s1
chemicalCompound:standardIn...	PHAYEXZAKQRIHL-CGZBRXJRSA-N
chemicalCompound:canonicalS...	CC(=O)N1[C@H]2CCN(C2[C@@H](CC=C)C1=O)C(=O)OCc3ccccc3
chemicalCompound:molecularF...	C19 H22 N2 O4
chemicalCompound:moleculeId	130249
chemicalCompound:mwFreebase	342.389
chemicalCompound:alogp	1.845
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	66.92
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.01
chemicalCompound:acdLogD	3.01
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	342.389
chemicalCompound:chemblId	CHEMBL309322
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:230249
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:1000798