900365

Source:http://linkedlifedata.com/resource/chembl/compound/900365

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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/C22H27N3O3/c1-3-24-8-10-25(11-9-24)19-6-5-18(14-16(19)2)23-22(26)17-4-7-20-21(15-17)28-13-12-27-20/h4-7,14-15H,3,8-13H2,1-2H3,(H,23,26)
chemicalCompound:standardIn...	VJVNKIIELOBCIZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1CCN(CC1)c2ccc(NC(=O)c3ccc4OCCOc4c3)cc2C
chemicalCompound:molecularF...	C22H27N3O3
chemicalCompound:moleculeId	900365
chemicalCompound:mwFreebase	381.468
chemicalCompound:alogp	3.355
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	54.04
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.083
chemicalCompound:acdLogP	3.25
chemicalCompound:acdLogD	2.872
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.468
chemicalCompound:acdMostBpk...	7.91
chemicalCompound:chemblId	CHEMBL1476481
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1000365
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:3850824, activity:4716870, activity:5432036, activity:5543321, activity:5565958, activity:5655299, activity:5690865, activity:5796092, activity:5801659, activity:5867579, activity:6490317, activity:7114163, activity:7371517, activity:7493690