882408

Source:http://linkedlifedata.com/resource/chembl/compound/882408

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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/C23H21N3O2/c24-16-19(15-21-10-11-22(28-21)26-12-4-1-5-13-26)23(27)25-20-9-8-17-6-2-3-7-18(17)14-20/h2-3,6-11,14-15H,1,4-5,12-13H2,(H,25,27)/b19-15-
chemicalCompound:standardIn...	GORLYADHVAVGDT-CYVLTUHYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc2ccccc2c1)\C(=C/c3oc(cc3)N4CCCCC4)\C#N
chemicalCompound:molecularF...	C23H21N3O2
chemicalCompound:moleculeId	882408
chemicalCompound:mwFreebase	371.432
chemicalCompound:alogp	4.429
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.002
chemicalCompound:acdLogP	3.65
chemicalCompound:acdLogD	3.649
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.432
chemicalCompound:acdMostBpk...	2.651
chemicalCompound:chemblId	CHEMBL1458524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:982408
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:3616811, activity:3622417, activity:3674375, activity:3710281, activity:3739879, activity:3872279, activity:3943411, activity:3989316, activity:4010003, activity:4132358, activity:4210279, activity:4307818, activity:4335493, activity:4437325, activity:4558861, activity:4592841, activity:4742443, activity:4767633, activity:4809649, activity:4859786, activity:4918052, activity:4918836, activity:5446197, activity:5503075, activity:5595087, activity:5660738, activity:5715478, activity:5963744, activity:6475487, activity:6571471, activity:6734493, activity:6765862, activity:6793504, activity:6962634, activity:7020740, activity:7144199, activity:7251301, activity:7265571, activity:7418570, activity:7523450