1238446

Source:http://linkedlifedata.com/resource/chembl/compound/1238446

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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/C15H10Cl2N2O2/c1-21-10-4-2-9(3-5-10)12(8-18)11-6-14(17)15(19-20)7-13(11)16/h2-7,20H,1H3
chemicalCompound:standardIn...	QMLYOPFBIJNSGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=C2C=C(Cl)C(=NO)C=C2Cl)C#N
chemicalCompound:molecularF...	C15H10Cl2N2O2
chemicalCompound:moleculeId	1238446
chemicalCompound:mwFreebase	321.158
chemicalCompound:alogp	3.385
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	65.61
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.828
chemicalCompound:acdLogP	7.739
chemicalCompound:acdLogD	7.064
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.158
chemicalCompound:chemblId	CHEMBL1897875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1338446
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:6979850, activity:7285896, activity:10608390