441334

Source:http://linkedlifedata.com/resource/chembl/compound/441334

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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:441334_3-DEOXY-EPO A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C26H39NO5S/c1-15-8-7-9-20-22(31-20)13-21(16(2)12-19-14-33-18(4)27-19)32-23(28)10-11-26(5,6)25(30)17(3)24(15)29/h12,14-15,17,20-22,24,29H,7-11,13H2,1-6H3/b16-12+/t15-,17+,20+,21-,22-,24-/m0/s1
chemicalCompound:standardIn...	XDQKQYSCUFUHHC-UKMVELPCSA-N
chemicalCompound:canonicalS...	C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)CCC(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c3csc(C)n3)\C
chemicalCompound:molecularF...	C26 H39 N O5 S
chemicalCompound:moleculeId	441334
chemicalCompound:mwFreebase	477.657
chemicalCompound:alogp	4.541
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	117.26
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.591
chemicalCompound:acdLogD	2.591
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	477.657
chemicalCompound:acdMostBpk...	2.564
chemicalCompound:chemblId	CHEMBL261834
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:541334
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	3-DEOXY-EPO A
chemicalCompound:activity	activity:2110462, activity:2110464, activity:2110466, activity:2110468