2647

Source:http://linkedlifedata.com/resource/chembl/compound/2647

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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/C14H14BrN5/c1-19(2)13-12-14(17-8-16-13)20(9-18-12)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3
chemicalCompound:standardIn...	LAXJOIWUZPYAER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)c1ncnc2c1ncn2Cc3cccc(Br)c3
chemicalCompound:molecularF...	C14 H14 Br N5
chemicalCompound:moleculeId	2647
chemicalCompound:mwFreebase	332.198
chemicalCompound:alogp	3.005
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	46.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.36
chemicalCompound:acdLogD	3.359
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.198
chemicalCompound:acdMostBpk...	4.447
chemicalCompound:chemblId	CHEMBL7896
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102647
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:305794, activity:398420, activity:892124