88437

Source:http://linkedlifedata.com/resource/chembl/compound/88437

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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/C23H26ClFN4O2/c1-30-21-14-20-17(13-22(21)31-11-5-10-29-8-3-2-4-9-29)23(27-15-26-20)28-16-6-7-19(25)18(24)12-16/h6-7,12-15H,2-5,8-11H2,1H3,(H,26,27,28)
chemicalCompound:standardIn...	IFIRBZOPPUFQRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCCCC4
chemicalCompound:molecularF...	C23 H26 Cl F N4 O2
chemicalCompound:moleculeId	88437
chemicalCompound:mwFreebase	444.93
chemicalCompound:alogp	4.795
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	59.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.283
chemicalCompound:acdLogD	2.566
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	444.93
chemicalCompound:acdMostBpk...	9.156
chemicalCompound:chemblId	CHEMBL291514
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:188437
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:581417, activity:581418, activity:581419, activity:581420