806915

Source:http://linkedlifedata.com/resource/chembl/compound/806915

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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/C15H11BrN4O3/c16-10-6-17-14-4-11(19-20(14)7-10)15(21)18-5-9-1-2-12-13(3-9)23-8-22-12/h1-4,6-7H,5,8H2,(H,18,21)
chemicalCompound:standardIn...	BNPLLZIDWXJZHJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1cnc2cc(nn2c1)C(=O)NCc3ccc4OCOc4c3
chemicalCompound:molecularF...	C15H11BrN4O3
chemicalCompound:moleculeId	806915
chemicalCompound:mwFreebase	375.177
chemicalCompound:alogp	1.839
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	77.75
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.584
chemicalCompound:acdLogP	2.194
chemicalCompound:acdLogD	2.191
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	375.177
chemicalCompound:chemblId	CHEMBL1383031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:906915
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:3688409, activity:3707775, activity:3937995, activity:4149293, activity:4328764, activity:4418489, activity:4542643, activity:4612051, activity:4613037, activity:4839878, activity:4886764, activity:5353734, activity:5543927, activity:5560861, activity:5586123, activity:5796131, activity:5799963, activity:6494486, activity:6924477, activity:6978109, activity:7205150, activity:8781028, activity:9020155, activity:9720263, activity:10170422, activity:10423375, activity:10668506