627972

Source:http://linkedlifedata.com/resource/chembl/compound/627972

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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/C17H18FN3O5/c18-11-8-14(26-12(9-22)15(11)23)21-7-6-13(20-17(21)25)19-16(24)10-4-2-1-3-5-10/h1-7,11-12,14-15,22-23H,8-9H2,(H,19,20,24,25)/t11-,12-,14-,15?/m1/s1
chemicalCompound:standardIn...	JDMVJAAWOFCRPK-TVAMOIRASA-N
chemicalCompound:canonicalS...	OC[C@H]1O[C@H](C[C@@H](F)C1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3
chemicalCompound:molecularF...	C17H18FN3O5
chemicalCompound:moleculeId	627972
chemicalCompound:mwFreebase	363.34
chemicalCompound:alogp	0.454
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	111.46
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.625
chemicalCompound:acdLogP	0.83
chemicalCompound:acdLogD	0.759
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	363.34
chemicalCompound:acdMostBpk...	3.563
chemicalCompound:chemblId	CHEMBL1094537
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:727972
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:3300099