769980

Source:http://linkedlifedata.com/resource/chembl/compound/769980

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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/C33H27N7O/c1-21-29-30(23-11-5-3-6-12-23)39-28-16-10-9-15-27(28)36-31(35-25-19-17-24(18-20-25)34-22(2)41)33(39)37-32(29)40(38-21)26-13-7-4-8-14-26/h3-20,30H,1-2H3,(H,34,41)(H,35,36)
chemicalCompound:standardIn...	UBBXJGCKFHIHCH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(NC2=Nc3ccccc3N4C(c5ccccc5)c6c(C)nn(c7ccccc7)c6N=C24)cc1
chemicalCompound:molecularF...	C33H27N7O
chemicalCompound:moleculeId	769980
chemicalCompound:mwFreebase	537.614
chemicalCompound:alogp	5.05
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.91
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.302
chemicalCompound:acdLogD	4.301
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	537.614
chemicalCompound:acdMostBpk...	3.725
chemicalCompound:chemblId	CHEMBL1346096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:869980
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:3617594, activity:3756546, activity:3765709, activity:3892463, activity:3982967, activity:4087123, activity:4579335, activity:4700710, activity:4761735, activity:5432085, activity:5514287, activity:5583742, activity:5690929, activity:5801150, activity:5867641, activity:5997434, activity:6010078, activity:6017395, activity:6025507, activity:6046443, activity:6459457, activity:6547963, activity:7195148, activity:7319422, activity:7526434