497956

Source:http://linkedlifedata.com/resource/chembl/compound/497956

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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:497956_FR-290581_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C39H62N2O5/c1-7-8-9-28-16-35(46-34(28)22-40-14-12-30(13-15-40)41-20-26(5)45-27(6)21-41)38-19-31-25(4)10-11-32(31)37(23-42)18-29(38)17-33(24(2)3)39(37,38)36(43)44/h17,23-32,34-35H,7-16,18-22H2,1-6H3,(H,43,44)/t25-,26-,27+,28-,29?,31-,32-,34+,35-,37+,38?,39+/m1/s1
chemicalCompound:standardIn...	YRWWYUHAPONEDI-BAUKSVFGSA-N
chemicalCompound:canonicalS...	CCCC[C@@H]1C[C@@H](O[C@H]1CN2CCC(CC2)N3C[C@@H](C)O[C@@H](C)C3)C45C[C@@H]6[C@H](C)CC[C@H]6[C@]7(CC4C=C(C(C)C)[C@@]57C(=O)O)C=O
chemicalCompound:molecularF...	C39H62N2O5
chemicalCompound:moleculeId	497956
chemicalCompound:mwFreebase	638.92
chemicalCompound:alogp	2.66
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	79.31
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.888
chemicalCompound:acdLogP	5.75
chemicalCompound:acdLogD	3.234
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	638.92
chemicalCompound:acdMostBpk...	8.696
chemicalCompound:chemblId	CHEMBL505493
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597956
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2409895, activity:2409898, activity:2409901, activity:2409904, activity:2409907, activity:2409910, activity:2409913, activity:2409915, activity:2409917, activity:2409919, activity:2409921, activity:2409923