675873

Source:http://linkedlifedata.com/resource/chembl/compound/675873

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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:8443
chemicalCompound:standardIn...	InChI=1S/C13H22N2O2.C2H2O4/c1-12(16)14(2)8-4-5-9-15-10-6-7-13(15)11-17-3;3-1(4)2(5)6/h13H,6-11H2,1-3H3;(H,3,4)(H,5,6)/t13-;/m0./s1
chemicalCompound:standardIn...	PVWAZTZBOWEEEI-ZOWNYOTGSA-N
chemicalCompound:canonicalS...	COC[C@@H]1CCCN1CC#CCN(C)C(=O)C.OC(=O)C(=O)O
chemicalCompound:molecularF...	C15H24N2O6
chemicalCompound:moleculeId	675873
chemicalCompound:mwFreebase	238.326
chemicalCompound:alogp	0.667
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.608
chemicalCompound:acdLogD	1.241
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	328.361
chemicalCompound:acdMostBpk...	7.537
chemicalCompound:chemblId	CHEMBL1201922
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775873
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:1039053, activity:1039054, activity:1039055, activity:1039056, activity:1039057