989535

Source:http://linkedlifedata.com/resource/chembl/compound/989535

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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/C20H21N3O2/c1-3-10-23(20(25)17-6-4-5-9-21-17)13-16-12-15-8-7-14(2)11-18(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
chemicalCompound:standardIn...	XLYAGNZIBZOLQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(Cc1cc2ccc(C)cc2nc1O)C(=O)c3ccccn3
chemicalCompound:molecularF...	C20H21N3O2
chemicalCompound:moleculeId	989535
chemicalCompound:mwFreebase	335.4
chemicalCompound:alogp	3.947
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	66.31
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.019
chemicalCompound:acdLogD	3.001
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	335.4
chemicalCompound:acdMostBpk...	9.622
chemicalCompound:chemblId	CHEMBL1565651
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1089535
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:3684810, activity:3711221, activity:4127191, activity:4359448, activity:4431895, activity:4586940, activity:4807721, activity:4821282, activity:5342335, activity:5409693, activity:5538368, activity:5710638, activity:5855531, activity:5860953, activity:5881654, activity:5973759, activity:6559423, activity:6732093, activity:7505361