568798

Source:http://linkedlifedata.com/resource/chembl/compound/568798

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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/C19H16BrN5O2/c20-13-4-2-12(3-5-13)15-8-24-18(27)16-17(23-19(24)22-15)25(10-21-16)14-6-1-11(7-14)9-26/h1-6,8,10-11,14,26H,7,9H2,(H,22,23)/t11-,14+/m1/s1
chemicalCompound:standardIn...	BRCLFRYWADKNED-RISCZKNCSA-N
chemicalCompound:canonicalS...	OC[C@H]1C[C@H](C=C1)n2cnc3C(=O)N4C=C(NC4=Nc23)c5ccc(Br)cc5
chemicalCompound:molecularF...	C19H16BrN5O2
chemicalCompound:moleculeId	568798
chemicalCompound:mwFreebase	426.267
chemicalCompound:alogp	1.581
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	82.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.622
chemicalCompound:acdLogD	1.622
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.267
chemicalCompound:acdMostBpk...	3.012
chemicalCompound:chemblId	CHEMBL576759
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668798
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:2909844, activity:2909859, activity:2909876, activity:2909906, activity:2917787, activity:2917820, activity:2917851