1312551

Source:http://linkedlifedata.com/resource/chembl/compound/1312551

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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/C22H24N2O5/c1-21-15-8-23-7-13(19(26)28-2)12(15)6-16(21)22(20(27)29-3)10-24-18(21)17-11(9-25)4-5-14(17)22/h4,7-8,10,14,16-18,25H,5-6,9H2,1-3H3
chemicalCompound:standardIn...	RPTBJMRJQJWKHK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1cncc2c1CC3C2(C)C4N=CC3(C5CC=C(CO)C45)C(=O)OC
chemicalCompound:molecularF...	C22H24N2O5
chemicalCompound:moleculeId	1312551
chemicalCompound:mwFreebase	396.436
chemicalCompound:alogp	0.918
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	98.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.308
chemicalCompound:acdLogD	1.308
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.436
chemicalCompound:acdMostBpk...	4.405
chemicalCompound:chemblId	CHEMBL1991260
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1412551
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:8239784, activity:8289886, activity:8339826, activity:8350664, activity:8369724, activity:8389938, activity:8466947, activity:8527103, activity:8551672, activity:8554143, activity:8628216, activity:8704269, activity:8739928, activity:8836929, activity:8857229, activity:8867938, activity:8897361, activity:9006873, activity:9036252, activity:9070907, activity:9117302, activity:9132967, activity:9224715, activity:9257210, activity:9263420, activity:9325853, activity:9395328, activity:9474500, activity:9481300, activity:9654171, activity:9732442, activity:9756235, activity:9826180, activity:9861469, activity:9902879, activity:9928737, activity:9969949, activity:10029392, activity:10044850, activity:10137351, activity:10148719, activity:10248526, activity:10276976, activity:10338375, activity:10366139, activity:10398208, activity:10413035, activity:10533812, activity:10561556, activity:10641826, activity:10652199, activity:10740197, activity:10751724, activity:10763081