104846

Source:http://linkedlifedata.com/resource/chembl/compound/104846

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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:104846_Cefpirome_INN, synonym:104846_Cefrom_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)/b26-15-/t16-,20-/m1/s1
chemicalCompound:standardIn...	DKOQGJHPHLTOJR-WHRDSVKCSA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)[O-])C[n+]3cccc4CCCc34)\c5csc(N)n5
chemicalCompound:molecularF...	C22H22N6O5S2
chemicalCompound:moleculeId	104846
chemicalCompound:mwFreebase	514.577
chemicalCompound:alogp	-0.043
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	207.46
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.432
chemicalCompound:acdLogP	-2.078
chemicalCompound:acdLogD	-1.527
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	514.577
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL65794
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:204846
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CEFPIROME
chemicalCompound:activity	activity:417071, activity:417072, activity:417073, activity:417074, activity:417075, activity:417076, activity:417077, activity:417078, activity:417079, activity:417080, activity:417081, activity:417082, activity:417083, activity:417084, activity:417085, activity:417086, activity:417087, activity:417088, activity:417089, activity:747605, activity:747606, activity:747607, activity:747608, activity:747609, activity:747610, activity:747611, activity:747612, activity:747613, activity:747614, activity:747615, activity:747616, activity:747617, activity:747618, activity:851650, activity:1178852, activity:1178853, activity:1178854, activity:1178855, activity:1178856, activity:1178857, activity:1178858, activity:1178859, activity:1178860, activity:1178861, activity:1178862, activity:1178863, activity:1178864, activity:1178865, activity:1178866, activity:1178867, activity:1178868, activity:1178869, activity:1178870, activity:1178871, activity:1178872, activity:1178873, activity:1178874, activity:1178875, activity:1178876, activity:1490313, activity:1515377, activity:1515378, activity:1515379