1027604

Source:http://linkedlifedata.com/resource/chembl/compound/1027604

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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/C24H22F3N3O3/c1-32-20-9-5-19(6-10-20)29-12-14-30(15-13-29)23(31)17-2-7-21(8-3-17)33-22-11-4-18(16-28-22)24(25,26)27/h2-11,16H,12-15H2,1H3
chemicalCompound:standardIn...	OGXDWMPIRCPOCW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2CCN(CC2)C(=O)c3ccc(Oc4ccc(cn4)C(F)(F)F)cc3
chemicalCompound:molecularF...	C24H22F3N3O3
chemicalCompound:moleculeId	1027604
chemicalCompound:mwFreebase	457.445
chemicalCompound:alogp	4.748
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	54.9
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.511
chemicalCompound:acdLogD	3.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	457.445
chemicalCompound:acdMostBpk...	3.509
chemicalCompound:chemblId	CHEMBL1603720
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1127604
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:3772185, activity:3997447, activity:4060635, activity:4104205, activity:4980253, activity:5484596, activity:5946585, activity:6547579, activity:6720512, activity:7014744, activity:7268305, activity:7399300