950297

Source:http://linkedlifedata.com/resource/chembl/compound/950297

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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/C14H13BrN2O2/c1-10-8-12(2-3-13(10)15)19-9-14(18)17-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,16,17,18)
chemicalCompound:standardIn...	YYOZBJVGXCNIDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br
chemicalCompound:molecularF...	C14H13BrN2O2
chemicalCompound:moleculeId	950297
chemicalCompound:mwFreebase	321.169
chemicalCompound:alogp	2.534
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	51.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.97
chemicalCompound:acdLogP	2.927
chemicalCompound:acdLogD	2.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.169
chemicalCompound:acdMostBpk...	5.569
chemicalCompound:chemblId	CHEMBL1526413
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1050297
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:3631488, activity:3922696, activity:4080885, activity:4206823, activity:4299486, activity:4389759, activity:4429833, activity:4443977, activity:4524514, activity:4618598, activity:5431001, activity:5530715, activity:5880943, activity:5959206, activity:6667990, activity:7425403