33889

Source:http://linkedlifedata.com/resource/chembl/compound/33889

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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:33889_Baraclude_OTHER, synonym:33889_Baraclude_TRADE_NAME, synonym:33889_Entecavir_FDA_ALTERNATIVE_NAME, synonym:33889_Entecavir_INN, synonym:33889_Entecavir_USAN
chemicalCompound:standardIn...	InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1
chemicalCompound:standardIn...	QDGZDCVAUDNJFG-FXQIFTODSA-N
chemicalCompound:canonicalS...	NC1=Nc2c(ncn2[C@H]3C[C@H](O)[C@@H](CO)C3=C)C(=O)N1
chemicalCompound:molecularF...	C12H15N5O3
chemicalCompound:moleculeId	33889
chemicalCompound:mwFreebase	277.279
chemicalCompound:alogp	-1.404
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	125.76
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.644
chemicalCompound:acdLogP	-1.974
chemicalCompound:acdLogD	-1.977
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	277.279
chemicalCompound:acdMostBpk...	2.636
chemicalCompound:chemblId	CHEMBL713
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133889
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	Yes
chemicalCompound:prefName	ENTECAVIR
chemicalCompound:firstAppro...	2005
chemicalCompound:activity	activity:585071, activity:585072, activity:585073, activity:585074, activity:585075, activity:585076, activity:585077, activity:585078, activity:585079, activity:585080, activity:585081, activity:585082, activity:585083, activity:585084, activity:1847850, activity:1847851, activity:1847852, activity:1847853, activity:1847854, activity:1847855, activity:1847856, activity:1847857, activity:1847858, activity:1847859, activity:1847860, activity:1847861, activity:1847862, activity:1847863, activity:1847864, activity:1847865, activity:1847866, activity:1847867, activity:2126773, activity:2126777, activity:2126782, activity:2126788, activity:2126793, activity:2126798, activity:2126803, activity:2126808, activity:2126812, activity:2126819, activity:2126825, activity:2126826, activity:2126831, activity:2126837, activity:2126841, activity:2126847, activity:2126852, activity:2126857, activity:2126863, activity:2126867, activity:2126871, activity:2126877, activity:2126882, activity:2126887, activity:2126891, activity:2126897, activity:2126902