627927

Source:http://linkedlifedata.com/resource/chembl/compound/627927

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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/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6?,7?,9-/m1/s1
chemicalCompound:standardIn...	BXHWKGLMPCAUQA-JCMBNQPGSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C(O)[C@@H](F)C1O)N2C=C(F)C(=O)NC2=O
chemicalCompound:molecularF...	C10H12F2N2O6
chemicalCompound:moleculeId	627927
chemicalCompound:mwFreebase	294.209
chemicalCompound:alogp	-2.112
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	119.33
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.647
chemicalCompound:acdLogP	-0.73
chemicalCompound:acdLogD	-0.956
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	294.209
chemicalCompound:chemblId	CHEMBL1095545
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:727927
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:3300098, activity:3300107