837309

Source:http://linkedlifedata.com/resource/chembl/compound/837309

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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/C14H15N5O2/c20-7-6-15-14-17-12-11(13(21)18-14)19(9-16-12)8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,17,18,21)
chemicalCompound:standardIn...	VMYVSEIRFNZSPD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCNc1nc(O)c2c(ncn2Cc3ccccc3)n1
chemicalCompound:molecularF...	C14H15N5O2
chemicalCompound:moleculeId	837309
chemicalCompound:mwFreebase	285.301
chemicalCompound:alogp	1.166
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	96.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.973
chemicalCompound:acdLogP	-0.712
chemicalCompound:acdLogD	-3.212
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	285.301
chemicalCompound:acdMostBpk...	9.301
chemicalCompound:chemblId	CHEMBL1413425
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:937309
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:3868200, activity:4135036, activity:4214745, activity:5577976, activity:5640267, activity:6902084, activity:6964491, activity:7472878