435559

Source:http://linkedlifedata.com/resource/chembl/compound/435559

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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/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/t19-,20+
chemicalCompound:standardIn...	BJQHLKABXJIVAM-BGYRXZFFSA-N
chemicalCompound:canonicalS...	CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCC
chemicalCompound:molecularF...	C24 H38 O4
chemicalCompound:moleculeId	435559
chemicalCompound:mwFreebase	390.556
chemicalCompound:alogp	7.574
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	52.6
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.516
chemicalCompound:acdLogD	8.516
chemicalCompound:fullMwt	390.556
chemicalCompound:chemblId	CHEMBL402794
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:535559
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BIS(2-ETHYLHEXYL)PHTHALATE
chemicalCompound:activity	activity:2114411, activity:2114412, activity:2114414, activity:5316489, activity:5316879, activity:7605348, activity:7605349, activity:7605350, activity:7605351, activity:7605352, activity:7605353, activity:7605354, activity:7605355, activity:7605356, activity:7605357, activity:7605358, activity:7605359, activity:7605360, activity:7605361, activity:7605362, activity:7605363, activity:7605364, activity:7605365, activity:7605366, activity:7605367, activity:7605368, activity:7605369, activity:7605370, activity:7605371, activity:7605372, activity:7605373, activity:7605374, activity:7605375, activity:7605376, activity:7605377, activity:7605378, activity:7605379, activity:7605380, activity:7605381, activity:7605382, activity:7605383, activity:7605384, activity:7605385, activity:7605386, activity:7605387, activity:7605388, activity:7605389, activity:7605390, activity:7605391, activity:7605392, activity:7605393, activity:7605394, activity:7605395, activity:7605396, activity:7605397, activity:7605398, activity:7605399, activity:7605400, activity:7605401, activity:7605402, activity:7605403, activity:7605404, activity:7605405, activity:7605406, activity:7605407, activity:7605408, activity:7605409, activity:7605410