114673

Source:http://linkedlifedata.com/resource/chembl/compound/114673

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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/C25H28F2N2O2/c26-21-5-3-19(4-6-21)24(30)2-1-9-28-10-12-29(13-11-28)17-18-14-20-16-22(27)7-8-23(20)25(31)15-18/h3-8,16,18H,1-2,9-15,17H2
chemicalCompound:standardIn...	MHWRZIBDNNXDFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)C(=O)CCCN2CCN(CC3CC(=O)c4ccc(F)cc4C3)CC2
chemicalCompound:molecularF...	C25 H28 F2 N2 O2
chemicalCompound:moleculeId	114673
chemicalCompound:mwFreebase	426.499
chemicalCompound:alogp	4.316
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.685
chemicalCompound:acdLogD	2.311
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.499
chemicalCompound:acdMostBpk...	7.33
chemicalCompound:chemblId	CHEMBL72649
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:214673
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:306720, activity:306721, activity:306722, activity:306723, activity:1245280, activity:1245281