439243

Source:http://linkedlifedata.com/resource/chembl/compound/439243

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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/C23H22Cl2N2O/c24-20-8-4-17(5-9-20)15-26-12-13-27(16-18-6-10-21(25)11-7-18)23(26)19-2-1-3-22(28)14-19/h1-11,14,23,28H,12-13,15-16H2
chemicalCompound:standardIn...	HOLBXNWPYRFVSF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cccc(c1)C2N(Cc3ccc(Cl)cc3)CCN2Cc4ccc(Cl)cc4
chemicalCompound:molecularF...	C23 H22 Cl2 N2 O
chemicalCompound:moleculeId	439243
chemicalCompound:mwFreebase	413.34
chemicalCompound:alogp	6.314
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	26.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.787
chemicalCompound:acdLogP	2.199
chemicalCompound:acdLogD	2.19
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.34
chemicalCompound:acdMostBpk...	5.598
chemicalCompound:chemblId	CHEMBL272157
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539243
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:2095963, activity:2096017, activity:2096038, activity:2096039, activity:2096040, activity:2096041