795874

Source:http://linkedlifedata.com/resource/chembl/compound/795874

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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/C22H28N4O3/c27-20(19-15-23-12-13-24-19)26(16-18-9-6-14-29-18)22(10-4-1-5-11-22)21(28)25-17-7-2-3-8-17/h6,9,12-15,17H,1-5,7-8,10-11,16H2,(H,25,28)
chemicalCompound:standardIn...	BXSQZDXBPVRFFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NC1CCCC1)C2(CCCCC2)N(Cc3occc3)C(=O)c4cnccn4
chemicalCompound:molecularF...	C22H28N4O3
chemicalCompound:moleculeId	795874
chemicalCompound:mwFreebase	396.483
chemicalCompound:alogp	2.526
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	88.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.974
chemicalCompound:acdLogD	1.974
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.483
chemicalCompound:acdMostBpk...	0.202
chemicalCompound:chemblId	CHEMBL1371990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:895874
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:3765801, activity:5048188, activity:5342346, activity:5409715, activity:5538350, activity:5855513, activity:5860935, activity:5881636, activity:5973741, activity:7539147