545800

Source:http://linkedlifedata.com/resource/chembl/compound/545800

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:205
chemicalCompound:synonym	synonym:545800_Difloxacin hydrochloride_OTHER
chemicalCompound:standardIn...	InChI=1S/C21H19F2N3O3.ClH/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14;/h2-5,10-12H,6-9H2,1H3,(H,28,29);1H
chemicalCompound:standardIn...	JFMGBGLSDVIOHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4
chemicalCompound:molecularF...	C21H20ClF2N3O3
chemicalCompound:moleculeId	545800
chemicalCompound:mwFreebase	399.391
chemicalCompound:alogp	0.246
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	64.09
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.171
chemicalCompound:acdLogP	0.843
chemicalCompound:acdLogD	-0.455
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	435.852
chemicalCompound:acdMostBpk...	7.413
chemicalCompound:chemblId	CHEMBL542414
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:645800
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:1207579, activity:1207580, activity:1207581, activity:1207582, activity:1207583, activity:1207584, activity:1207585, activity:1207586, activity:1207587, activity:1207588, activity:1207589