201881

Source:http://linkedlifedata.com/resource/chembl/compound/201881

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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/C20H18N2O4/c1-14-5-2-8-17(11-14)26-13-19(23)21-15-6-3-7-16(12-15)22-20(24)18-9-4-10-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
chemicalCompound:standardIn...	GETCUGFXZQZCTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3occc3)c2)c1
chemicalCompound:molecularF...	C20 H18 N2 O4
chemicalCompound:moleculeId	201881
chemicalCompound:mwFreebase	350.368
chemicalCompound:alogp	3.116
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	80.57
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.448
chemicalCompound:acdLogP	2.734
chemicalCompound:acdLogD	2.734
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.368
chemicalCompound:acdMostBpk...	0.073
chemicalCompound:chemblId	CHEMBL332658
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301881
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:402687