184514

Source:http://linkedlifedata.com/resource/chembl/compound/184514

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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/C17H10BrF3N2O2/c18-12-5-1-10(2-6-12)15(24)14(9-22)16(25)23-13-7-3-11(4-8-13)17(19,20)21/h1-8,24H,(H,23,25)/b15-14-
chemicalCompound:standardIn...	VKCUIHFHHSDSGR-PFONDFGASA-N
chemicalCompound:canonicalS...	O\C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)\c2ccc(Br)cc2
chemicalCompound:molecularF...	C17 H10 Br F3 N2 O2
chemicalCompound:moleculeId	184514
chemicalCompound:mwFreebase	411.173
chemicalCompound:alogp	4.074
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	73.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.248
chemicalCompound:acdLogP	3.337
chemicalCompound:acdLogD	0.862
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	411.173
chemicalCompound:chemblId	CHEMBL112010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284514
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:437502, activity:437503, activity:437504, activity:437505