205329

Source:http://linkedlifedata.com/resource/chembl/compound/205329

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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/C34H36N2O8/c1-21-25(15-9-17-27(21)37)35-33(41)31(43-19-23-11-5-3-6-12-23)29(39)30(40)32(44-20-24-13-7-4-8-14-24)34(42)36-26-16-10-18-28(38)22(26)2/h3-18,29-32,37-40H,19-20H2,1-2H3,(H,35,41)(H,36,42)/t29-,30-,31-,32-/m1/s1
chemicalCompound:standardIn...	YIZGIZUPUROQJN-SEVDZJIVSA-N
chemicalCompound:canonicalS...	Cc1c(O)cccc1NC(=O)[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](OCc3ccccc3)C(=O)Nc4cccc(O)c4C
chemicalCompound:molecularF...	C34 H36 N2 O8
chemicalCompound:moleculeId	205329
chemicalCompound:mwFreebase	600.658
chemicalCompound:alogp	4.097
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.501
chemicalCompound:acdLogP	6.644
chemicalCompound:acdLogD	6.64
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	600.658
chemicalCompound:acdMostBpk...	1.072
chemicalCompound:chemblId	CHEMBL262464
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305329
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:327076, activity:327077