171326

Source:http://linkedlifedata.com/resource/chembl/compound/171326

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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/C16H18FN3O3/c1-8-13(19-5-4-18)12(17)7-20-14(8)10(9-2-3-9)6-11(15(20)21)16(22)23/h6-7,9,19H,2-5,18H2,1H3,(H,22,23)
chemicalCompound:standardIn...	IHEGRMWMHRVFTC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(NCCN)C(=CN2C(=O)C(=CC(=C12)C3CC3)C(=O)O)F
chemicalCompound:molecularF...	C16 H18 F N3 O3
chemicalCompound:moleculeId	171326
chemicalCompound:mwFreebase	319.331
chemicalCompound:alogp	-3.076
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	95.66
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.949
chemicalCompound:acdLogP	2.88
chemicalCompound:acdLogD	0.378
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	319.331
chemicalCompound:acdMostBpk...	9.48
chemicalCompound:chemblId	CHEMBL318536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271326
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:1306883, activity:1306884, activity:1306885, activity:1306886, activity:1306887, activity:1306888, activity:1306889, activity:1306890, activity:1306891, activity:1306892, activity:1306893, activity:1306894, activity:1306895