131453

Source:http://linkedlifedata.com/resource/chembl/compound/131453

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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/C11H8Cl2O4/c1-2-7(14)6-3-4-8(11(13)10(6)12)17-5-9(15)16/h2-4H,1,5H2,(H,15,16)
chemicalCompound:standardIn...	XZPUKCSADVDPOP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1ccc(C(=O)C=C)c(Cl)c1Cl
chemicalCompound:molecularF...	C11 H8 Cl2 O4
chemicalCompound:moleculeId	131453
chemicalCompound:mwFreebase	275.085
chemicalCompound:alogp	3.061
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.798
chemicalCompound:acdLogP	1.912
chemicalCompound:acdLogD	-1.781
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	275.085
chemicalCompound:chemblId	CHEMBL83673
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231453
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:686123, activity:686124, activity:686125, activity:686126, activity:686127