925

Source:http://linkedlifedata.com/resource/chembl/compound/925

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:925_GPI-1046_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
chemicalCompound:standardIn...	OQAHHWOPVDDWHD-INIZCTEOSA-N
chemicalCompound:canonicalS...	CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc2cccnc2
chemicalCompound:molecularF...	C20H28N2O4
chemicalCompound:moleculeId	925
chemicalCompound:mwFreebase	360.447
chemicalCompound:alogp	2.972
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	76.57
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.248
chemicalCompound:acdLogD	3.244
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	360.447
chemicalCompound:acdMostBpk...	5.369
chemicalCompound:chemblId	CHEMBL6367
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100925
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	GPI-1046
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:42871
chemicalCompound:activity	activity:44721, activity:44722, activity:44723, activity:44724, activity:44725, activity:738988, activity:738989, activity:738990, activity:857264, activity:857265, activity:899875, activity:1209855, activity:1209856, activity:1758455