607236

Source:http://linkedlifedata.com/resource/chembl/compound/607236

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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/C12H16F2N2O6/c1-2-5-3-16(12(20)15-9(5)22-11(13)14)10-8(19)7(18)6(4-17)21-10/h3,6-8,10-11,17-19H,2,4H2,1H3/t6-,7-,8+,10?/m1/s1
chemicalCompound:standardIn...	SPNAKXJTAJWKCS-UUBZBTQISA-N
chemicalCompound:canonicalS...	CCC1=CN(C2O[C@H](CO)[C@@H](O)[C@@H]2O)C(=O)N=C1OC(F)F
chemicalCompound:molecularF...	C12H16F2N2O6
chemicalCompound:moleculeId	607236
chemicalCompound:mwFreebase	322.262
chemicalCompound:alogp	0.181
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	111.82
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.476
chemicalCompound:acdLogP	-0.425
chemicalCompound:acdLogD	-0.425
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	322.262
chemicalCompound:chemblId	CHEMBL611299
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:707236
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:163049, activity:163050, activity:163051