503632

Source:http://linkedlifedata.com/resource/chembl/compound/503632

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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/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
chemicalCompound:standardIn...	HOBAELRKJCKHQD-QNEBEIHSSA-N
chemicalCompound:canonicalS...	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O
chemicalCompound:molecularF...	C20H34O2
chemicalCompound:moleculeId	503632
chemicalCompound:mwFreebase	306.483
chemicalCompound:alogp	6.883
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.773
chemicalCompound:acdLogP	7.541
chemicalCompound:acdLogD	4.945
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.483
chemicalCompound:chemblId	CHEMBL465183
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:603632
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:53486
chemicalCompound:activity	activity:2324058, activity:2324065, activity:2324073, activity:2324075, activity:2325123, activity:2325130, activity:4127126, activity:6877626