685859

Source:http://linkedlifedata.com/resource/chembl/compound/685859

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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/C19H22N2O3/c1-15(22)21-18(14-24-13-17-10-6-3-7-11-17)19(23)20-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)/t18-/m1/s1
chemicalCompound:standardIn...	WQLPGWXFBWLNQJ-GOSISDBHSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@H](COCc1ccccc1)C(=O)NCc2ccccc2
chemicalCompound:molecularF...	C19H22N2O3
chemicalCompound:moleculeId	685859
chemicalCompound:mwFreebase	326.39
chemicalCompound:alogp	1.605
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.42
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.437
chemicalCompound:acdLogD	2.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	326.39
chemicalCompound:chemblId	CHEMBL1214010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:785859
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:3401422, activity:3401454, activity:3401473, activity:3401485, activity:3401506