454446

Source:http://linkedlifedata.com/resource/chembl/compound/454446

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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:454446_Cefa-Lak_TRADE_NAME, synonym:454446_Cefadyl_TRADE_NAME, synonym:454446_Cefapirin_TRADE_NAME, synonym:454446_Cephapirin_FDA_ALTERNATIVE_NAME
chemicalCompound:standardIn...	InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)/t13-,16-/m1/s1
chemicalCompound:standardIn...	UQLLWWBDSUHNEB-CZUORRHYSA-N
chemicalCompound:canonicalS...	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O
chemicalCompound:molecularF...	C17H17N3O6S2
chemicalCompound:moleculeId	454446
chemicalCompound:mwFreebase	423.463
chemicalCompound:alogp	-0.338
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	176.5
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.671
chemicalCompound:acdLogP	-0.412
chemicalCompound:acdLogD	-4.112
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	423.463
chemicalCompound:acdMostBpk...	4.486
chemicalCompound:chemblId	CHEMBL1599
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:554446
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	CEPHAPIRIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:554446
chemicalCompound:activity	activity:1490329, activity:2325717, activity:2552248, activity:2552249, activity:2589725, activity:2589728, activity:5079648, activity:5080399, activity:5080682, activity:5081053, activity:5081820, activity:5328081, activity:5328082, activity:5328083, activity:5328084, activity:5328085, activity:5328086, activity:5328087, activity:5328088, activity:5328089, activity:5328090, activity:5328091, activity:5328092, activity:5328093, activity:5328094, activity:5328095, activity:5328096, activity:5328097, activity:5328098