217817

Source:http://linkedlifedata.com/resource/chembl/compound/217817

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C41H42N4O5/c1-28-19-20-37(42-25-28)43-40(48)33-17-9-15-31(21-33)26-44-35(23-29-11-5-3-6-12-29)38(46)39(47)36(24-30-13-7-4-8-14-30)45(41(44)49)27-32-16-10-18-34(22-32)50-2/h3-22,25,35-36,38-39,46-47H,23-24,26-27H2,1-2H3,(H,42,43,48)/t35-,36-,38+,39+/m1/s1
chemicalCompound:standardIn...	SFASRDRWOGHVFO-DDLQZHSQSA-N
chemicalCompound:canonicalS...	COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc5cccc(c5)C(=O)Nc6ccc(C)cn6)C2=O)c1
chemicalCompound:molecularF...	C41 H42 N4 O5
chemicalCompound:moleculeId	217817
chemicalCompound:mwFreebase	670.796
chemicalCompound:alogp	6.255
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	115.23
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.216
chemicalCompound:acdLogP	6.992
chemicalCompound:acdLogD	6.992
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	670.796
chemicalCompound:acdMostBpk...	3.656
chemicalCompound:chemblId	CHEMBL336885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:317817
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:449731, activity:449732, activity:449733