986867

Source:http://linkedlifedata.com/resource/chembl/compound/986867

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1047870
chemicalCompound:standardIn...	InChI=1S/C22H20FN3O.C2H2O4/c1-26-20(15-7-10-17(23)11-8-15)14-25-22(26)24-13-16-9-12-21(27-2)19-6-4-3-5-18(16)19;3-1(4)2(5)6/h3-12,14H,13H2,1-2H3,(H,24,25);(H,3,4)(H,5,6)
chemicalCompound:standardIn...	GJIARZWGQZKWQE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CNc2ncc(c3ccc(F)cc3)n2C)c4ccccc14.OC(=O)C(=O)O
chemicalCompound:molecularF...	C24H22FN3O5
chemicalCompound:moleculeId	986867
chemicalCompound:mwFreebase	361.412
chemicalCompound:alogp	4.291
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	39.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.447
chemicalCompound:acdLogD	5.127
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.447
chemicalCompound:acdMostBpk...	7.44
chemicalCompound:chemblId	CHEMBL1562983
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1086867
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:3694765, activity:3784396, activity:4083243, activity:4115790, activity:4569140, activity:4598388, activity:4775391, activity:4960284, activity:4978324, activity:4987538, activity:5359192, activity:5433165, activity:5665412, activity:5709701, activity:5790896, activity:5862868, activity:5960682, activity:6498096, activity:6598951, activity:6726077, activity:6990528, activity:7107088, activity:7278132, activity:7394063, activity:7472682, activity:8260762, activity:8605040, activity:9695463