699393

Source:http://linkedlifedata.com/resource/chembl/compound/699393

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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:699393_Ellence_OTHER, synonym:699393_Ellence_TRADE_NAME, synonym:699393_Epirubicin_FDA_ALTERNATIVE_NAME, synonym:699393_Epirubicin_INN
chemicalCompound:standardIn...	InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13+,15-,17-,22+,27-/m0/s1
chemicalCompound:standardIn...	AOJJSUZBOXZQNB-SHGQPOSGSA-N
chemicalCompound:canonicalS...	COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
chemicalCompound:molecularF...	C27H29NO11
chemicalCompound:moleculeId	699393
chemicalCompound:mwFreebase	543.519
chemicalCompound:alogp	-0.044
chemicalCompound:hba	12
chemicalCompound:hbd	6
chemicalCompound:psa	206.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.351
chemicalCompound:acdLogP	0.239
chemicalCompound:acdLogD	-1.467
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	543.519
chemicalCompound:acdMostBpk...	8.677
chemicalCompound:chemblId	CHEMBL1237042
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:799393
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	EPIRUBICIN
chemicalCompound:firstAppro...	1999
chemicalCompound:activity	activity:631267, activity:631268, activity:1411666, activity:2409784, activity:2409785, activity:2409786, activity:2409787, activity:2671920, activity:2671921, activity:2704917, activity:2704924, activity:2704930, activity:2704935, activity:3266981, activity:5079153, activity:5079200, activity:5080053, activity:5083331, activity:5083569, activity:5316296, activity:5316893, activity:5317344, activity:5318295, activity:5319246, activity:5328880, activity:6218423, activity:6218424, activity:6218425, activity:6218426, activity:6218427, activity:7566759, activity:7566878, activity:7654271, activity:7654272, activity:7654273, activity:7654274, activity:7654275, activity:7654276, activity:7654277, activity:7654278, activity:7654279, activity:7654280, activity:7654281, activity:7654282, activity:7654283, activity:7654284, activity:7654285, activity:7654286, activity:7654287, activity:7654288, activity:7654289, activity:7654290, activity:7654291, activity:7654292, activity:7654293, activity:7654294, activity:7654295, activity:7654296, activity:7654297, activity:7654298