852037

Source:http://linkedlifedata.com/resource/chembl/compound/852037

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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/C32H26N6O2/c1-19-9-8-10-22(17-19)33-30-32-35-31-28(20(2)36-38(31)23-11-4-3-5-12-23)29(21-15-16-26(39)27(40)18-21)37(32)25-14-7-6-13-24(25)34-30/h3-18,29,39-40H,1-2H3,(H,33,34)
chemicalCompound:standardIn...	VDXQGNUWBUFDMK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(NC2=Nc3ccccc3N4C(c5ccc(O)c(O)c5)c6c(C)nn(c7ccccc7)c6N=C24)c1
chemicalCompound:molecularF...	C32H26N6O2
chemicalCompound:moleculeId	852037
chemicalCompound:mwFreebase	526.588
chemicalCompound:alogp	5.932
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	98.27
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.361
chemicalCompound:acdLogP	4.341
chemicalCompound:acdLogD	4.33
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	526.588
chemicalCompound:acdMostBpk...	3.776
chemicalCompound:chemblId	CHEMBL1428153
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:952037
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:3631232, activity:3657712, activity:3735957, activity:3745031, activity:3770163, activity:3797950, activity:3959504, activity:4299334, activity:4357120, activity:4376787, activity:4453123, activity:4566880, activity:4673416, activity:4893635, activity:4894661, activity:4950128, activity:5022166, activity:5394323, activity:5458630, activity:5761931, activity:6468406, activity:6522673, activity:6751724, activity:6807118, activity:6895503, activity:6961360, activity:7150220, activity:7212765, activity:7228303, activity:7325942, activity:10638619