15420

Source:http://linkedlifedata.com/resource/chembl/compound/15420

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:15420_CI-938_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H17F2N3O3/c18-12-5-10-14(13(19)15(12)21-4-3-8(20)6-21)22(9-1-2-9)7-11(16(10)23)17(24)25/h5,7-9H,1-4,6,20H2,(H,24,25)
chemicalCompound:standardIn...	UHBXZNXCIZHGFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C17 H17 F2 N3 O3
chemicalCompound:moleculeId	15420
chemicalCompound:mwFreebase	349.332
chemicalCompound:alogp	-1.179
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.398
chemicalCompound:acdLogP	2.121
chemicalCompound:acdLogD	0.093
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	349.332
chemicalCompound:acdMostBpk...	9.153
chemicalCompound:chemblId	CHEMBL15464
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115420
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:38732, activity:94794, activity:94795, activity:94796, activity:97925, activity:97926, activity:97927, activity:100710, activity:100711, activity:100712, activity:168395, activity:201992, activity:201993, activity:201994, activity:201995, activity:201996, activity:201997, activity:201998, activity:201999, activity:202000, activity:202001, activity:202002, activity:202003, activity:202004, activity:202005, activity:202006, activity:202007, activity:202008, activity:311767, activity:311768, activity:311769, activity:311770, activity:311771, activity:311772, activity:311773, activity:311774, activity:311775, activity:311776, activity:311777, activity:311778, activity:311779, activity:311780, activity:311781, activity:311782, activity:311783, activity:311784, activity:311785, activity:434876, activity:434877, activity:434878, activity:434879, activity:434880, activity:434881, activity:434882, activity:434883, activity:434884, activity:434885, activity:434886, activity:434887, activity:434888, activity:434889, activity:434890, activity:597203, activity:597204, activity:597205