1307943

Source:http://linkedlifedata.com/resource/chembl/compound/1307943

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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/C24H20N6O3/c1-31-18-11-14(12-19(32-2)23(18)33-3)13-26-29-24-27-21-17-9-6-10-25-20(17)15-7-4-5-8-16(15)22(21)28-30-24/h4-13H,1-3H3,(H,27,29,30)/b26-13+
chemicalCompound:standardIn...	QPBDSPQARCBLHC-LGJNPRDNSA-N
chemicalCompound:canonicalS...	COc1cc(\C=N\Nc2nnc3c4ccccc4c5ncccc5c3n2)cc(OC)c1OC
chemicalCompound:molecularF...	C24H20N6O3
chemicalCompound:moleculeId	1307943
chemicalCompound:mwFreebase	440.454
chemicalCompound:alogp	4.534
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	103.64
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.648
chemicalCompound:acdLogP	3.211
chemicalCompound:acdLogD	2.434
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	440.454
chemicalCompound:acdMostBpk...	0.015
chemicalCompound:chemblId	CHEMBL1986652
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1407943
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:8278940, activity:8348351, activity:8363567, activity:8378125, activity:8464454, activity:8488526, activity:8553645, activity:8569261, activity:8705611, activity:8750042, activity:8752609, activity:8880966, activity:8905731, activity:8948894, activity:9049235, activity:9145697, activity:9147868, activity:9265543, activity:9280773, activity:9338341, activity:9341775, activity:9487037, activity:9571481, activity:9760288, activity:9774740, activity:9941373, activity:9973869, activity:10022730, activity:10139540, activity:10150222, activity:10259192, activity:10304336, activity:10346519, activity:10421083, activity:10457646, activity:10471922, activity:10573881, activity:10649904, activity:10668920, activity:10698315