160815

Source:http://linkedlifedata.com/resource/chembl/compound/160815

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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/C22H25N3O4/c23-21(28)18(13-16-8-10-17(26)11-9-16)24-22(29)19-7-4-12-25(19)20(27)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19,26H,4,7,12-14H2,(H2,23,28)(H,24,29)/t18-,19+/m1/s1
chemicalCompound:standardIn...	RUGPPVKVGPVAIH-MOPGFXCFSA-N
chemicalCompound:canonicalS...	NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]2CCCN2C(=O)Cc3ccccc3
chemicalCompound:molecularF...	C22 H25 N3 O4
chemicalCompound:moleculeId	160815
chemicalCompound:mwFreebase	395.452
chemicalCompound:alogp	1.587
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	112.73
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.875
chemicalCompound:acdLogP	1.256
chemicalCompound:acdLogD	1.254
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	395.452
chemicalCompound:chemblId	CHEMBL99105
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:260815
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:402110