44876

Source:http://linkedlifedata.com/resource/chembl/compound/44876

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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:44876_BRL-14151_RESEARCH_CODE, synonym:44876_Clavulanate_FDA_ALTERNATIVE_NAME, synonym:44876_Clavulanic Acid_BAN, synonym:44876_Clavulanic Acid_INN, synonym:44876_Clavulanic Acid_USAN
chemicalCompound:standardIn...	InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
chemicalCompound:standardIn...	HZZVJAQRINQKSD-PBFISZAISA-N
chemicalCompound:canonicalS...	OC\C=C\1/O[C@@H]2CC(=O)N2[C@H]1C(=O)O
chemicalCompound:molecularF...	C8H9NO5
chemicalCompound:moleculeId	44876
chemicalCompound:mwFreebase	199.161
chemicalCompound:alogp	-1.235
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	87.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.678
chemicalCompound:acdLogP	-0.322
chemicalCompound:acdLogD	-3.731
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	199.161
chemicalCompound:chemblId	CHEMBL777
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:144876
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLAVULANIC ACID
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:48947
chemicalCompound:firstAppro...	1984
chemicalCompound:activity	activity:94916, activity:94917, activity:98869, activity:159193, activity:159194, activity:159195, activity:159196, activity:159197, activity:159198, activity:159199, activity:159200, activity:177516, activity:177517, activity:177518, activity:340807, activity:340808, activity:340809, activity:340810, activity:340811, activity:340812, activity:340813, activity:340814, activity:340815, activity:340816, activity:344400, activity:344401, activity:344402, activity:344403, activity:344404, activity:344405, activity:344406, activity:557241, activity:557242, activity:557243, activity:557244, activity:557245, activity:557246, activity:557247, activity:557248, activity:557249, activity:557250, activity:561762, activity:561763, activity:756440, activity:756441, activity:756442, activity:756443, activity:756444, activity:756445, activity:837158, activity:837159, activity:837160, activity:837161, activity:837162, activity:837163, activity:837164, activity:837165, activity:837166, activity:837167