633701

Source:http://linkedlifedata.com/resource/chembl/compound/633701

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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/C12H6F3N3O5S/c13-12(14,15)7-3-1-2-6(4-7)10(19)16-11-8(17(20)21)5-9(24-11)18(22)23/h1-5H,(H,16,19)
chemicalCompound:standardIn...	FHHZXYLFASBEJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cc(c(NC(=O)c2cccc(c2)C(F)(F)F)s1)[N+](=O)[O-]
chemicalCompound:molecularF...	C12H6F3N3O5S
chemicalCompound:moleculeId	633701
chemicalCompound:mwFreebase	361.253
chemicalCompound:alogp	3.256
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	148.97
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.435
chemicalCompound:acdLogP	3.266
chemicalCompound:acdLogD	3.266
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	361.253
chemicalCompound:chemblId	CHEMBL1085249
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733701
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:3303013, activity:3303028, activity:3303043, activity:3303058