304903

Source:http://linkedlifedata.com/resource/chembl/compound/304903

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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:304903_Ertapenem_FDA_ALTERNATIVE_NAME, synonym:304903_Ertapenem_INN, synonym:304903_Invanz_OTHER, synonym:304903_Invanz_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1
chemicalCompound:standardIn...	JUZNIMUFDBIJCM-ANEDZVCMSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)Nc4cccc(c4)C(=O)O
chemicalCompound:molecularF...	C22H25N3O7S
chemicalCompound:moleculeId	304903
chemicalCompound:mwFreebase	475.515
chemicalCompound:alogp	-3.128
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	181.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.028
chemicalCompound:acdLogP	-0.724
chemicalCompound:acdLogD	-4.54
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	475.515
chemicalCompound:acdMostBpk...	7.785
chemicalCompound:chemblId	CHEMBL1359
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:404903
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	ERTAPENEM
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:404903
chemicalCompound:firstAppro...	2001
chemicalCompound:activity	activity:1434527, activity:1434528, activity:1434529, activity:1434530, activity:1434531, activity:1434532, activity:1434533, activity:1434534, activity:1827791, activity:1827792, activity:1827796, activity:1827913, activity:1827916, activity:1827917, activity:1827919, activity:1827984, activity:1834557, activity:1834569, activity:1834581, activity:1834593, activity:1834605, activity:1847920, activity:1847929, activity:1847938, activity:1848139, activity:1848147, activity:1848155, activity:1848162, activity:1848171, activity:1848179, activity:1848188, activity:1848196, activity:1848204, activity:1848212, activity:1848219, activity:1865728, activity:1866338, activity:1866351, activity:1866365, activity:1866378, activity:1867594, activity:1867596, activity:1867598, activity:1867599, activity:1867601, activity:1867603, activity:1867605, activity:1867606, activity:1867608, activity:1867610, activity:1867612, activity:1867614, activity:1867615, activity:1867616, activity:1867618, activity:1867624, activity:1867627, activity:1867628, activity:1867631