256228

Source:http://linkedlifedata.com/resource/chembl/compound/256228

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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/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)
chemicalCompound:standardIn...	YAWWQIFONIPBKT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)C3CCCC3
chemicalCompound:molecularF...	C20 H24 Cl2 O4
chemicalCompound:moleculeId	256228
chemicalCompound:mwFreebase	399.308
chemicalCompound:alogp	6.185
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.798
chemicalCompound:acdLogP	5.341
chemicalCompound:acdLogD	1.648
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	399.308
chemicalCompound:chemblId	CHEMBL346777
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:356228
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:393296, activity:393297, activity:393298, activity:393299, activity:406459, activity:406460, activity:406461, activity:406462, activity:406463, activity:406464, activity:406465, activity:406466