1065025

Source:http://linkedlifedata.com/resource/chembl/compound/1065025

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H33NO5/c19-12-13-15(21)16(22)14(20)11-18(13)10-6-2-5-9-17(23)7-3-1-4-8-17/h13-16,19-23H,1-12H2/t13-,14+,15-,16-/m1/s1
chemicalCompound:standardIn...	FQNCRPHSICYZQC-QKPAOTATSA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCC2(O)CCCCC2
chemicalCompound:molecularF...	C17H33NO5
chemicalCompound:moleculeId	1065025
chemicalCompound:mwFreebase	331.448
chemicalCompound:alogp	0.825
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	104.39
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.722
chemicalCompound:acdLogP	0.982
chemicalCompound:acdLogD	0.835
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.448
chemicalCompound:acdMostBpk...	6.924
chemicalCompound:chemblId	CHEMBL1652113
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1165025
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:5147448, activity:5147450, activity:5147452, activity:5147454, activity:5147456, activity:5147458, activity:5147460, activity:5147461, activity:5147464, activity:5147465, activity:5147466, activity:5147476, activity:5147487, activity:5147498, activity:5147504, activity:5147510, activity:5147516, activity:5147527, activity:5147530, activity:5147533, activity:5147539, activity:5147545, activity:5147552