156584

Source:http://linkedlifedata.com/resource/chembl/compound/156584

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:156584_SNAP-8719_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
chemicalCompound:standardIn...	WCWNYVYNQAPOOX-OAHLLOKOSA-N
chemicalCompound:canonicalS...	C[C@H](CN1CCN(CC1)c2cc(F)c(F)cc2F)N3C(=O)CC4(CCCC4)CC3=O
chemicalCompound:molecularF...	C22 H28 F3 N3 O2
chemicalCompound:moleculeId	156584
chemicalCompound:mwFreebase	423.472
chemicalCompound:alogp	3.63
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	43.86
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.709
chemicalCompound:acdLogD	3.694
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.472
chemicalCompound:acdMostBpk...	7.037
chemicalCompound:chemblId	CHEMBL98241
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256584
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:302371, activity:302372, activity:302373, activity:302374, activity:302375, activity:302376, activity:1163542, activity:1163543, activity:1163544, activity:1163545, activity:1191236, activity:1191237, activity:1191238, activity:1191239, activity:1191240, activity:1191241, activity:1191242, activity:1191243, activity:1191244, activity:1191245, activity:1191246, activity:1191247, activity:1430899, activity:1481859, activity:1481860, activity:1481861, activity:1504795, activity:1504796, activity:1504797, activity:1504798, activity:1504799, activity:1504800