429311

Source:http://linkedlifedata.com/resource/chembl/compound/429311

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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/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)
chemicalCompound:standardIn...	VNVKSDCWJDOWNE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1)c2nc3[nH]nc(NC(=O)C4CC4)c3cc2Br
chemicalCompound:molecularF...	C16H13BrN4O2
chemicalCompound:moleculeId	429311
chemicalCompound:mwFreebase	373.204
chemicalCompound:alogp	3.392
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	90.9
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.076
chemicalCompound:acdLogP	1.363
chemicalCompound:acdLogD	1.126
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.204
chemicalCompound:acdMostBpk...	1.105
chemicalCompound:chemblId	CHEMBL260417
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:529311
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:133217, activity:133218, activity:133219, activity:133220, activity:133221, activity:133222, activity:133223, activity:133224, activity:133225, activity:133226, activity:133227, activity:133228, activity:133229, activity:133230, activity:133231, activity:133232, activity:133233, activity:133234, activity:133235, activity:133236, activity:133237, activity:133238, activity:133239, activity:133240, activity:133241, activity:133242, activity:1293904, activity:2154906, activity:2234629, activity:2234630, activity:2234731, activity:2565232, activity:7321006, activity:8207519, activity:8207520, activity:8207521, activity:8207522, activity:8207523, activity:8207524, activity:8207525, activity:8207526, activity:8207527, activity:8207528, activity:8207529, activity:8207530, activity:8207531, activity:8207532, activity:8207533, activity:8207534, activity:8207535, activity:8207536, activity:8207537, activity:8207538, activity:8207539, activity:8207540, activity:8207541, activity:8207542, activity:8207543, activity:8207544, activity:8207545, activity:8207546, activity:8207547, activity:8207548, activity:8207549, activity:8207550, activity:8207551