627925

Source:http://linkedlifedata.com/resource/chembl/compound/627925

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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/C17H18FN3O6/c18-12-13(23)10(8-22)27-16(14(12)24)21-7-6-11(20-17(21)26)19-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,22-24H,8H2,(H,19,20,25,26)/t10-,12+,13?,14?,16-/m1/s1
chemicalCompound:standardIn...	PUCZITRLESUWFB-SBRPMQCUSA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C(O)[C@@H](F)C1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3
chemicalCompound:molecularF...	C17H18FN3O6
chemicalCompound:moleculeId	627925
chemicalCompound:mwFreebase	379.34
chemicalCompound:alogp	-0.313
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	131.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.557
chemicalCompound:acdLogP	0.843
chemicalCompound:acdLogD	0.761
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	379.34
chemicalCompound:acdMostBpk...	3.563
chemicalCompound:chemblId	CHEMBL1095543
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:727925
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:3300096, activity:3300105, activity:3300106