76462

Source:http://linkedlifedata.com/resource/chembl/compound/76462

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1277
chemicalCompound:standardIn...	InChI=1S/C13H12FN5.CH4O3S/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14;1-5(2,3)4/h2-5,7-8H,6H2,1H3,(H,15,16,17);1H3,(H,2,3,4)
chemicalCompound:standardIn...	OAOJUQDGTDJXBZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1ncnc2c1ncn2Cc3ccccc3F.CS(=O)(=O)O
chemicalCompound:molecularF...	C13 H12 F N5 . C H4 O3 S
chemicalCompound:moleculeId	76462
chemicalCompound:mwFreebase	257.266
chemicalCompound:alogp	2.108
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.257
chemicalCompound:acdLogD	2.255
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.372
chemicalCompound:acdMostBpk...	4.894
chemicalCompound:chemblId	CHEMBL445098
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:176462
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:926091, activity:926092, activity:926093, activity:926094, activity:926095, activity:926096, activity:926097, activity:926098, activity:926099, activity:926100