581814

Source:http://linkedlifedata.com/resource/chembl/compound/581814

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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:581814_Digoxin pediatric_TRADE_NAME, synonym:581814_Digoxin_BAN, synonym:581814_Digoxin_FDA_ALTERNATIVE_NAME, synonym:581814_Digoxin_INN, synonym:581814_Digoxin_JAN, synonym:581814_Digoxin_TRADE_NAME, synonym:581814_Digoxin_USAN, synonym:581814_Digoxin_USP, synonym:581814_Lanoxicaps_TRADE_NAME, synonym:581814_Lanoxin pediatric_TRADE_NAME, synonym:581814_Lanoxin_TRADE_NAME, synonym:581814_Vanoxin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
chemicalCompound:standardIn...	LTMHDMANZUZIPE-PUGKRICDSA-N
chemicalCompound:canonicalS...	C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C
chemicalCompound:molecularF...	C41H64O14
chemicalCompound:moleculeId	581814
chemicalCompound:mwFreebase	780.938
chemicalCompound:alogp	1.999
chemicalCompound:hba	14
chemicalCompound:hbd	6
chemicalCompound:psa	203.06
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.502
chemicalCompound:acdLogP	1.289
chemicalCompound:acdLogD	1.289
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	780.938
chemicalCompound:chemblId	CHEMBL1751
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681814
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	DIGOXIN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4551
chemicalCompound:activity	activity:109354, activity:109355, activity:109356, activity:109357, activity:109358, activity:109359, activity:155068, activity:155069, activity:155070, activity:231611, activity:231612, activity:231613, activity:255239, activity:255240, activity:255241, activity:255242, activity:255243, activity:255244, activity:255245, activity:255246, activity:485567, activity:485568, activity:485569, activity:485570, activity:485571, activity:485572, activity:512600, activity:512601, activity:512602, activity:512603, activity:512604, activity:512605, activity:512606, activity:512607, activity:624607, activity:624608, activity:624609, activity:626353, activity:626354, activity:626355, activity:1082734, activity:1164955, activity:1164956, activity:1164957, activity:1164958, activity:1164959, activity:1164960, activity:1164961, activity:1164962, activity:1164963, activity:1164964, activity:1164965, activity:1406228