675870

Source:http://linkedlifedata.com/resource/chembl/compound/675870

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:8422
chemicalCompound:standardIn...	InChI=1S/C15H24N2O3.C2H2O4/c1-4-20-15(19)14-9-5-6-11-17(14)12-8-7-10-16(3)13(2)18;3-1(4)2(5)6/h14H,4-6,9-12H2,1-3H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	DTXAWFOZQVAHJB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1CCCCN1CC#CCN(C)C(=O)C.OC(=O)C(=O)O
chemicalCompound:molecularF...	C17H26N2O7
chemicalCompound:moleculeId	675870
chemicalCompound:mwFreebase	280.363
chemicalCompound:alogp	1.417
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.85
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.115
chemicalCompound:acdLogD	1.084
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.398
chemicalCompound:acdMostBpk...	6.359
chemicalCompound:chemblId	CHEMBL1201919
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775870
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:1052543, activity:1052544, activity:1052545, activity:1052546, activity:1052547