21141

Source:http://linkedlifedata.com/resource/chembl/compound/21141

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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/C25H30O12/c26-3-8-32-17-14-20(35-11-6-29)22-21(15-17)37-24(25(23(22)31)36-12-7-30)16-1-2-18(33-9-4-27)19(13-16)34-10-5-28/h1-2,13-15,26-30H,3-12H2
chemicalCompound:standardIn...	YRFYWFJCBDWATA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCOC1=C(Oc2cc(OCCO)cc(OCCO)c2C1=O)c3ccc(OCCO)c(OCCO)c3
chemicalCompound:molecularF...	C25 H30 O12
chemicalCompound:moleculeId	21141
chemicalCompound:mwFreebase	522.498
chemicalCompound:alogp	0.061
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	173.6
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-1.366
chemicalCompound:acdLogD	-1.366
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.498
chemicalCompound:chemblId	CHEMBL18609
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121141
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:559402, activity:559403, activity:559404, activity:559405, activity:559406, activity:559407