548874

Source:http://linkedlifedata.com/resource/chembl/compound/548874

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:15472
chemicalCompound:synonym	synonym:548874_Clinafloxacin hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C17H17ClFN3O3.ClH/c18-13-14-10(5-12(19)15(13)21-4-3-8(20)6-21)16(23)11(17(24)25)7-22(14)9-1-2-9;/h5,7-9H,1-4,6,20H2,(H,24,25);1H
chemicalCompound:standardIn...	BMACYHMTJHBPOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2Cl)C(=O)O
chemicalCompound:molecularF...	C17H18Cl2FN3O3
chemicalCompound:moleculeId	548874
chemicalCompound:mwFreebase	365.787
chemicalCompound:alogp	-0.72
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.394
chemicalCompound:acdLogP	2.449
chemicalCompound:acdLogD	0.497
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	402.248
chemicalCompound:acdMostBpk...	9.1
chemicalCompound:chemblId	CHEMBL537626
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:648874
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:316286, activity:316287, activity:316288, activity:316289, activity:316290, activity:316291, activity:316292, activity:316293, activity:316294, activity:316295, activity:316296, activity:316297, activity:316298, activity:316299, activity:316300, activity:316301, activity:316302, activity:316303