1065031

Source:http://linkedlifedata.com/resource/chembl/compound/1065031

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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:1065031_PBDNJ0803_OTHER
chemicalCompound:standardIn...	InChI=1S/C20H33NO5/c1-14-7-8-15(2)18(11-14)26-10-6-4-3-5-9-21-12-17(23)20(25)19(24)16(21)13-22/h7-8,11,16-17,19-20,22-25H,3-6,9-10,12-13H2,1-2H3/t16-,17+,19-,20-/m1/s1
chemicalCompound:standardIn...	VNLZITFPXUJXMB-PIKOESSRSA-N
chemicalCompound:canonicalS...	Cc1ccc(C)c(OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)c1
chemicalCompound:molecularF...	C20H33NO5
chemicalCompound:moleculeId	1065031
chemicalCompound:mwFreebase	367.48
chemicalCompound:alogp	2.255
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	3.109
chemicalCompound:acdLogD	2.967
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	367.48
chemicalCompound:acdMostBpk...	6.898
chemicalCompound:chemblId	CHEMBL1652119
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165031
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:5147470, activity:5147481, activity:5147492, activity:5147501, activity:5147507, activity:5147513, activity:5147521, activity:5147536, activity:5147542, activity:5147548