1068572

Source:http://linkedlifedata.com/resource/chembl/compound/1068572

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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/C35H35ClFN9O3/c36-30-19-39-31(44-13-11-43(12-14-44)20-22-18-40-45(21-22)10-1-15-47)17-29(30)35(49)41-25-6-2-23-3-9-27-32(34(38)48)42-46(33(27)28(23)16-25)26-7-4-24(37)5-8-26/h2,4-8,16-19,21,47H,1,3,9-15,20H2,(H2,38,48)(H,41,49)
chemicalCompound:standardIn...	LWGAEQZMVWXORJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1nn(c2ccc(F)cc2)c3c1CCc4ccc(NC(=O)c5cc(ncc5Cl)N6CCN(Cc7cnn(CCCO)c7)CC6)cc34
chemicalCompound:molecularF...	C35H35ClFN9O3
chemicalCompound:moleculeId	1068572
chemicalCompound:mwFreebase	684.162
chemicalCompound:alogp	4.816
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	147.42
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.218
chemicalCompound:acdLogP	1.577
chemicalCompound:acdLogD	1.569
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	684.162
chemicalCompound:acdMostBpk...	5.604
chemicalCompound:chemblId	CHEMBL1669595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168572
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:5195721, activity:5195760, activity:5195799, activity:5195818, activity:5195836, activity:5195855