183565

Source:http://linkedlifedata.com/resource/chembl/compound/183565

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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/C22H26FN5O/c23-19-11-18-20(29)16(12-25-9-4-7-15-5-2-1-3-6-15)13-26-21(18)27-22(19)28-10-8-17(24)14-28/h1-3,5-6,11,13,17,25H,4,7-10,12,14,24H2,(H,26,27,29)
chemicalCompound:standardIn...	SAOCWGLEFKHRHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCN(C1)c2nc3ncc(CNCCCc4ccccc4)c(O)c3cc2F
chemicalCompound:molecularF...	C22 H26 F N5 O
chemicalCompound:moleculeId	183565
chemicalCompound:mwFreebase	395.473
chemicalCompound:alogp	2.705
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	87.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.065
chemicalCompound:acdLogP	2.186
chemicalCompound:acdLogD	-1.168
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	395.473
chemicalCompound:acdMostBpk...	9.144
chemicalCompound:chemblId	CHEMBL113516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283565
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:551980