880118

Source:http://linkedlifedata.com/resource/chembl/compound/880118

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H13BrFNO2/c17-12-2-1-3-14(10-12)19-16(21)9-8-15(20)11-4-6-13(18)7-5-11/h1-7,10H,8-9H2,(H,19,21)
chemicalCompound:standardIn...	UOYYSQDPORYIEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)C(=O)CCC(=O)Nc2cccc(Br)c2
chemicalCompound:molecularF...	C16H13BrFNO2
chemicalCompound:moleculeId	880118
chemicalCompound:mwFreebase	350.182
chemicalCompound:alogp	3.523
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.17
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.667
chemicalCompound:acdLogP	4.295
chemicalCompound:acdLogD	4.295
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.182
chemicalCompound:chemblId	CHEMBL1456234
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:980118
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:3614339, activity:3782448, activity:4879380, activity:5876839, activity:6476304, activity:7443287