410561

Source:http://linkedlifedata.com/resource/chembl/compound/410561

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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/C19H18Cl2N4O/c20-15-5-6-16(17(21)9-15)19(26,11-25-13-22-12-23-25)10-24-8-7-14-3-1-2-4-18(14)24/h1-6,9,12-13,26H,7-8,10-11H2
chemicalCompound:standardIn...	GGHZSFOIKCPRPS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CN1CCc2ccccc12)(Cn3cncn3)c4ccc(Cl)cc4Cl
chemicalCompound:molecularF...	C19 H18 Cl2 N4 O
chemicalCompound:moleculeId	410561
chemicalCompound:mwFreebase	389.278
chemicalCompound:alogp	3.939
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	54.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.392
chemicalCompound:acdLogP	3.595
chemicalCompound:acdLogD	3.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.278
chemicalCompound:acdMostBpk...	4.896
chemicalCompound:chemblId	CHEMBL247372
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:510561
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:2030953, activity:2030970