256230

Source:http://linkedlifedata.com/resource/chembl/compound/256230

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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/C18H20Cl2O4/c1-2-18(11-5-3-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h7,11H,2-6,8-9H2,1H3,(H,21,22)
chemicalCompound:standardIn...	FVIICCXIXDSZAK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)C3CCCC3
chemicalCompound:molecularF...	C18 H20 Cl2 O4
chemicalCompound:moleculeId	256230
chemicalCompound:mwFreebase	371.255
chemicalCompound:alogp	5.273
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.6
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.798
chemicalCompound:acdLogP	4.322
chemicalCompound:acdLogD	0.629
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	371.255
chemicalCompound:chemblId	CHEMBL152717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:356230
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:403715, activity:403716, activity:403717, activity:403718, activity:403719, activity:403720