662483

Source:http://linkedlifedata.com/resource/chembl/compound/662483

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C9H9FN4S/c1-5-4-6(10)2-3-7(5)8-13-14-9(12-11)15-8/h2-4H,11H2,1H3,(H,12,14)
chemicalCompound:standardIn...	WMYBIZIQBFCJHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(F)ccc1c2nnc(NN)s2
chemicalCompound:molecularF...	C9H9FN4S
chemicalCompound:moleculeId	662483
chemicalCompound:mwFreebase	224.258
chemicalCompound:alogp	1.559
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	92.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.148
chemicalCompound:acdLogD	3.148
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	224.258
chemicalCompound:acdMostBpk...	2.65
chemicalCompound:chemblId	CHEMBL1188533
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:762483
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No