1088904

Source:http://linkedlifedata.com/resource/chembl/compound/1088904

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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/C20H24N2O5/c1-3-14(2)15-6-8-16(9-7-15)22-18(23)13-27-19(24)10-11-21-20(25)17-5-4-12-26-17/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,21,25)(H,22,23)
chemicalCompound:standardIn...	UHLRLMCKXAAUOO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)c1ccc(NC(=O)COC(=O)CCNC(=O)c2occc2)cc1
chemicalCompound:molecularF...	C20H24N2O5
chemicalCompound:moleculeId	1088904
chemicalCompound:mwFreebase	372.415
chemicalCompound:alogp	2.675
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	97.64
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.648
chemicalCompound:acdLogP	3.442
chemicalCompound:acdLogD	3.442
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.415
chemicalCompound:acdMostBpk...	0.879
chemicalCompound:chemblId	CHEMBL1708173
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1188904
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:5867546, activity:6621694