824623

Source:http://linkedlifedata.com/resource/chembl/compound/824623

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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/C25H23N3O2/c29-25(30)19-8-2-1-7-18(19)17-26-28-15-13-27(14-16-28)24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,17,24H,13-16H2,(H,29,30)
chemicalCompound:standardIn...	QOIYEQPBXLIFLD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccccc1C=NN2CCN(CC2)C3c4ccccc4c5ccccc35
chemicalCompound:molecularF...	C25H23N3O2
chemicalCompound:moleculeId	824623
chemicalCompound:mwFreebase	397.469
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	56.14
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.501
chemicalCompound:acdLogP	3.439
chemicalCompound:acdLogD	0.551
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	397.469
chemicalCompound:acdMostBpk...	6.617
chemicalCompound:chemblId	CHEMBL1400739
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:924623
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:3708023, activity:4717433, activity:4942000, activity:5759185, activity:6429402, activity:7157683