984506

Source:http://linkedlifedata.com/resource/chembl/compound/984506

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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/C26H21F3N4O4/c1-36-20-8-6-15(7-9-20)22-14-23(33-32-22)25(35)31-19-10-16(11-21(13-19)37-2)24(34)30-18-5-3-4-17(12-18)26(27,28)29/h3-14H,1-2H3,(H,30,34)(H,31,35)(H,32,33)
chemicalCompound:standardIn...	QAUXZQDHMVPPEH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2cc([nH]n2)C(=O)Nc3cc(OC)cc(c3)C(=O)Nc4cccc(c4)C(F)(F)F
chemicalCompound:molecularF...	C26H21F3N4O4
chemicalCompound:moleculeId	984506
chemicalCompound:mwFreebase	510.465
chemicalCompound:alogp	4.991
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	105.34
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.98
chemicalCompound:acdLogP	5.863
chemicalCompound:acdLogD	5.861
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	510.465
chemicalCompound:acdMostBpk...	0.221
chemicalCompound:chemblId	CHEMBL1560622
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1084506
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:3659962, activity:3718658, activity:3967759, activity:4384712, activity:4505948, activity:5804907, activity:6581940, activity:6741486, activity:6868892, activity:7037705, activity:7195591, activity:7261666, activity:7418364, activity:8995647, activity:9693767