465713

Source:http://linkedlifedata.com/resource/chembl/compound/465713

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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:465713_NEOMYCIN A_TRADE_NAME, synonym:465713_Neomycin_INN
chemicalCompound:standardIn...	InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7+,8?,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-/m0/s1
chemicalCompound:standardIn...	PGBHMTALBVVCIT-DPNHOFNISA-N
chemicalCompound:canonicalS...	NC[C@H]1O[C@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O)[C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC(CN)[C@H](O)[C@@H](O)[C@@H]4N)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C23H46N6O13
chemicalCompound:moleculeId	465713
chemicalCompound:mwFreebase	614.644
chemicalCompound:alogp	-8.959
chemicalCompound:hba	19
chemicalCompound:hbd	13
chemicalCompound:psa	353.11
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.93
chemicalCompound:acdLogP	-5.956
chemicalCompound:acdLogD	-12.211
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	614.644
chemicalCompound:acdMostBpk...	9.523
chemicalCompound:chemblId	CHEMBL449118
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:565713
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	NEOMYCIN
chemicalCompound:activity	activity:171387, activity:190699, activity:190700, activity:190701, activity:190702, activity:190703, activity:217682, activity:217683, activity:217684, activity:217685, activity:217836, activity:217837, activity:217838, activity:217839, activity:297388, activity:393599, activity:394765, activity:473910, activity:543918, activity:543919, activity:789042, activity:789043, activity:789044, activity:789045, activity:809880, activity:936397, activity:936398, activity:936399, activity:936400, activity:936401, activity:1040894, activity:1075021, activity:1075022, activity:1075023, activity:1075024, activity:1075025, activity:1075026, activity:1075027, activity:1075028, activity:1089723, activity:1089724, activity:1089725, activity:1446030, activity:1446031, activity:1446134, activity:1462801, activity:1462802, activity:1523290, activity:1523291, activity:1605039, activity:1605040, activity:1771112, activity:1771192, activity:1771194, activity:1771254, activity:1804664, activity:1804770, activity:1804818, activity:1828246, activity:1828254, activity:1828261, activity:1828268, activity:1828275