690605

Source:http://linkedlifedata.com/resource/chembl/compound/690605

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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/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
chemicalCompound:standardIn...	PUOAETJYKQITMO-LANLRWRYSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\2/CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
chemicalCompound:molecularF...	C25H26FN3O2
chemicalCompound:moleculeId	690605
chemicalCompound:mwFreebase	419.491
chemicalCompound:alogp	4.305
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	47.36
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.761
chemicalCompound:acdLogD	4.753
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.491
chemicalCompound:acdMostBpk...	5.666
chemicalCompound:chemblId	CHEMBL1224151
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:790605
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:3413630, activity:3413633, activity:3413634, activity:5128903, activity:5128938, activity:5130092, activity:5130095, activity:7927998, activity:8030175, activity:8030847, activity:8030851, activity:8030857, activity:8030868, activity:8030881, activity:8030882, activity:8030896, activity:8030916, activity:8030938