1065034

Source:http://linkedlifedata.com/resource/chembl/compound/1065034

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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:1065034_PBDNJ0806_OTHER
chemicalCompound:standardIn...	InChI=1S/C19H35NO5/c21-12-15-18(23)19(24)16(22)11-20(15)7-3-1-2-4-8-25-17-10-13-5-6-14(17)9-13/h13-19,21-24H,1-12H2/t13?,14?,15-,16+,17?,18-,19-/m1/s1
chemicalCompound:standardIn...	FOTVFAVEZDZRSD-BCUUBBRUSA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOC2CC3CCC2C3
chemicalCompound:molecularF...	C19H35NO5
chemicalCompound:moleculeId	1065034
chemicalCompound:mwFreebase	357.485
chemicalCompound:alogp	1.121
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	93.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.721
chemicalCompound:acdLogP	1.894
chemicalCompound:acdLogD	1.751
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.485
chemicalCompound:acdMostBpk...	6.901
chemicalCompound:chemblId	CHEMBL1652122
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165034
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:5147467, activity:5147478, activity:5147489, activity:5147518