472397

Source:http://linkedlifedata.com/resource/chembl/compound/472397

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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/C18H25ClN4O/c1-3-23(4-2)12-8-18(24)22-11-10-21-16-7-9-20-17-13-14(19)5-6-15(16)17/h5-7,9,13H,3-4,8,10-12H2,1-2H3,(H,20,21)(H,22,24)
chemicalCompound:standardIn...	YFDBFXYVTRWXAE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCC(=O)NCCNc1ccnc2cc(Cl)ccc12
chemicalCompound:molecularF...	C18H25ClN4O
chemicalCompound:moleculeId	472397
chemicalCompound:mwFreebase	348.87
chemicalCompound:alogp	2.633
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	57.26
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.568
chemicalCompound:acdLogD	0.317
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	348.87
chemicalCompound:acdMostBpk...	9.815
chemicalCompound:chemblId	CHEMBL465989
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:572397
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:2266894, activity:2266945, activity:2266993, activity:3062605, activity:3062628, activity:3062651