1616

Source:http://linkedlifedata.com/resource/chembl/compound/1616

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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:1616_Trovafloxacin_FDA_ALTERNATIVE_NAME, synonym:1616_Trovafloxacin_INN, synonym:1616_Trovan_TRADE_NAME, synonym:1616_Turvel_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+
chemicalCompound:standardIn...	WVPSKSLAZQPAKQ-CDMJZVDBSA-N
chemicalCompound:canonicalS...	N[C@@H]1[C@H]2CN(C[C@@H]12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F
chemicalCompound:molecularF...	C20H15F3N4O3
chemicalCompound:moleculeId	1616
chemicalCompound:mwFreebase	416.353
chemicalCompound:alogp	-0.266
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	99.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.802
chemicalCompound:acdLogP	1.005
chemicalCompound:acdLogD	-1.062
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	416.353
chemicalCompound:acdMostBpk...	7.924
chemicalCompound:chemblId	CHEMBL428
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101616
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TROVAFLOXACIN
chemicalCompound:firstAppro...	1997
chemicalCompound:activity	activity:131507, activity:131508, activity:131509, activity:636909, activity:636910, activity:636911, activity:636912, activity:636913, activity:636914, activity:896284, activity:896285, activity:896286, activity:960347, activity:960348, activity:960349, activity:960350, activity:960351, activity:960352, activity:960353, activity:960354, activity:960355, activity:1102998, activity:1102999, activity:1495449, activity:1495450, activity:1495451, activity:1495452, activity:1495453, activity:2588244, activity:2588247, activity:2588250, activity:2588252, activity:2588257, activity:2588264, activity:2589062, activity:2589066, activity:2589071, activity:2589076, activity:2589086, activity:2589092, activity:2589098, activity:2589106, activity:2589117, activity:2589177, activity:2672757, activity:2672758, activity:2914880, activity:2978363, activity:2978372, activity:2978388, activity:2990153, activity:2990186, activity:2990643, activity:2991858, activity:2994777, activity:2995012, activity:2996168, activity:2996277, activity:3070509, activity:3070522