320662

Source:http://linkedlifedata.com/resource/chembl/compound/320662

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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/C19H16Cl2N2O3/c1-3-26-19(24)16-11-23(17-9-6-13(20)10-15(17)21)18(22-16)12-4-7-14(25-2)8-5-12/h4-11H,3H2,1-2H3
chemicalCompound:standardIn...	YJQIERGTQRMSJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1cn(c(n1)c2ccc(OC)cc2)c3ccc(Cl)cc3Cl
chemicalCompound:molecularF...	C19 H16 Cl2 N2 O3
chemicalCompound:moleculeId	320662
chemicalCompound:mwFreebase	391.248
chemicalCompound:alogp	5.369
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	53.35
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.249
chemicalCompound:acdLogD	5.249
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.248
chemicalCompound:acdMostBpk...	1.473
chemicalCompound:chemblId	CHEMBL364296
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:420662
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:1501116, activity:1501117