716776

Source:http://linkedlifedata.com/resource/chembl/compound/716776

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:716776_Asn06356088_OTHER
chemicalCompound:standardIn...	InChI=1S/C21H23BrN4O/c1-15-23-19-8-4-5-9-20(19)26(15)16-10-12-25(13-11-16)14-21(27)24-18-7-3-2-6-17(18)22/h2-9,16H,10-14H2,1H3,(H,24,27)
chemicalCompound:standardIn...	WOSAORHVEAJOFC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc2ccccc2n1C3CCN(CC(=O)Nc4ccccc4Br)CC3
chemicalCompound:molecularF...	C21H23BrN4O
chemicalCompound:moleculeId	716776
chemicalCompound:mwFreebase	427.338
chemicalCompound:alogp	3.307
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	50.16
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.759
chemicalCompound:acdLogP	3.857
chemicalCompound:acdLogD	3.797
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	427.338
chemicalCompound:acdMostBpk...	7.207
chemicalCompound:chemblId	CHEMBL1290361
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:816776
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:3595743, activity:4070992, activity:4701366, activity:4920513, activity:5413048, activity:5499242, activity:5865186, activity:5888031, activity:7038095, activity:7159192, activity:7272934, activity:7327110, activity:7534126