466627

Source:http://linkedlifedata.com/resource/chembl/compound/466627

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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/C19H16Br2N4/c1-24-18(14-4-8-16(21)9-5-14)19(25-11-10-22-12-25)17(23-24)13-2-6-15(20)7-3-13/h2-12,18-19H,1H3/t18-,19-/m1/s1
chemicalCompound:standardIn...	WVYYNNBORRVQAK-RTBURBONSA-N
chemicalCompound:canonicalS...	CN1N=C([C@H]([C@H]1c2ccc(Br)cc2)n3ccnc3)c4ccc(Br)cc4
chemicalCompound:molecularF...	C19H16Br2N4
chemicalCompound:moleculeId	466627
chemicalCompound:mwFreebase	460.165
chemicalCompound:alogp	4.216
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	33.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.65
chemicalCompound:acdLogD	5.648
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	460.165
chemicalCompound:acdMostBpk...	5.891
chemicalCompound:chemblId	CHEMBL448405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566627
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:2215578, activity:2215598, activity:2215618