900912

Source:http://linkedlifedata.com/resource/chembl/compound/900912

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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/C20H16BrNO2/c21-17-11-5-4-10-16(17)20(23)22-18-12-6-7-13-19(18)24-14-15-8-2-1-3-9-15/h1-13H,14H2,(H,22,23)
chemicalCompound:standardIn...	GUDNKWQRZXGLHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Brc1ccccc1C(=O)Nc2ccccc2OCc3ccccc3
chemicalCompound:molecularF...	C20H16BrNO2
chemicalCompound:moleculeId	900912
chemicalCompound:mwFreebase	382.251
chemicalCompound:alogp	4.93
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.142
chemicalCompound:acdLogP	4.732
chemicalCompound:acdLogD	4.732
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	382.251
chemicalCompound:chemblId	CHEMBL1477028
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1000912
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:3926525, activity:4412206, activity:4603399, activity:5352841, activity:6466515, activity:6573750, activity:6716376, activity:6897776, activity:7165543, activity:7232916