1225513

Source:http://linkedlifedata.com/resource/chembl/compound/1225513

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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/C15H7ClF3N3O4/c16-11-4-8-7-2-1-6(22(25)26)3-9(7)13(21-24)10(8)5-12(11)20-14(23)15(17,18)19/h1-5,24H,(H,20,23)
chemicalCompound:standardIn...	AMEQBBSTQFLCDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ON=C1c2cc(NC(=O)C(F)(F)F)c(Cl)cc2c3ccc(cc13)[N+](=O)[O-]
chemicalCompound:molecularF...	C15H7ClF3N3O4
chemicalCompound:moleculeId	1225513
chemicalCompound:mwFreebase	385.682
chemicalCompound:alogp	3.757
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	107.51
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.237
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	2.748
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	385.682
chemicalCompound:chemblId	CHEMBL1884942
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1325513
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:6999753, activity:7063914, activity:7283371, activity:10547467