15447

Source:http://linkedlifedata.com/resource/chembl/compound/15447

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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/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)
chemicalCompound:standardIn...	VUMRNUPUQAZDBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCN(C1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4
chemicalCompound:molecularF...	C17 H18 F N3 O3
chemicalCompound:moleculeId	15447
chemicalCompound:mwFreebase	331.342
chemicalCompound:alogp	-1.385
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.424
chemicalCompound:acdLogP	1.942
chemicalCompound:acdLogD	-0.118
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	331.342
chemicalCompound:acdMostBpk...	9.304
chemicalCompound:chemblId	CHEMBL15087
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115447
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:44620, activity:83803, activity:83804, activity:83805, activity:90818, activity:90819, activity:90820, activity:190765, activity:190766, activity:190767, activity:190768, activity:190769, activity:194783, activity:194784, activity:194785, activity:194786, activity:194787, activity:194788, activity:194789, activity:194790, activity:194791, activity:194792, activity:194793, activity:194794, activity:194795, activity:194796, activity:194797, activity:194798, activity:282879, activity:282880, activity:282881, activity:282882, activity:282883, activity:282884, activity:282885, activity:323144, activity:323145, activity:323146, activity:323147, activity:323148, activity:323149, activity:323150, activity:323151, activity:323152, activity:323153, activity:323154, activity:323155, activity:323156, activity:323157, activity:323158, activity:323159, activity:323160, activity:323161, activity:323162, activity:645657, activity:645658, activity:645659, activity:645660, activity:645661, activity:645662, activity:645663, activity:645664, activity:645665, activity:1170324, activity:1170325, activity:1170326