250845

Source:http://linkedlifedata.com/resource/chembl/compound/250845

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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/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30+,31?,32?,33-,34-,35-,36-/m1/s1
chemicalCompound:standardIn...	UOHMQWQGAJAUGT-HXEYYKLYSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NC2[C@@H](O)Cc3ccccc23)[C@@H](OCc4ccccc4)C(=O)NC5[C@H](O)Cc6ccccc56
chemicalCompound:molecularF...	C38 H40 N2 O8
chemicalCompound:moleculeId	250845
chemicalCompound:mwFreebase	652.733
chemicalCompound:alogp	2.808
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.56
chemicalCompound:acdLogP	5.743
chemicalCompound:acdLogD	5.742
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	652.733
chemicalCompound:chemblId	CHEMBL264040
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:350845
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:172271, activity:172272, activity:172273, activity:172274