390616

Source:http://linkedlifedata.com/resource/chembl/compound/390616

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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/C29H29F3N6O2/c1-20-4-2-3-5-23(20)28(39)35-22-7-9-27(26(32)15-22)37-12-10-36(11-13-37)16-29(40,17-38-19-33-18-34-38)24-8-6-21(30)14-25(24)31/h2-9,14-15,18-19,40H,10-13,16-17H2,1H3,(H,35,39)
chemicalCompound:standardIn...	XZZJCHLRFIZYEL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1C(=O)Nc2ccc(N3CCN(CC(O)(Cn4cncn4)c5ccc(F)cc5F)CC3)c(F)c2
chemicalCompound:molecularF...	C29 H29 F3 N6 O2
chemicalCompound:moleculeId	390616
chemicalCompound:mwFreebase	550.575
chemicalCompound:alogp	4.38
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.52
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.201
chemicalCompound:acdLogP	2.752
chemicalCompound:acdLogD	2.689
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	550.575
chemicalCompound:acdMostBpk...	5.923
chemicalCompound:chemblId	CHEMBL244432
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:490616
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:1935979, activity:1936014, activity:1936049, activity:1936084, activity:1936119, activity:1936154, activity:1936189, activity:1936224