17683

Source:http://linkedlifedata.com/resource/chembl/compound/17683

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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/C18H17N3O4/c1-2-15(22)16-13-9-8-12(10-14(13)21(25)17(16)23)20-18(24)19-11-6-4-3-5-7-11/h3-10,23,25H,2H2,1H3,(H2,19,20,24)
chemicalCompound:standardIn...	ORFUKKLWBBRHAW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3ccccc3)ccc12
chemicalCompound:molecularF...	C18 H17 N3 O4
chemicalCompound:moleculeId	17683
chemicalCompound:mwFreebase	339.345
chemicalCompound:alogp	1.121
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	103.59
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.476
chemicalCompound:acdLogP	3.049
chemicalCompound:acdLogD	2.97
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	339.345
chemicalCompound:acdMostBpk...	0.705
chemicalCompound:chemblId	CHEMBL16313
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117683
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:217045, activity:217046, activity:217047