295242

Source:http://linkedlifedata.com/resource/chembl/compound/295242

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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/C44H48N2O8/c1-27-15-19-29(20-16-27)9-7-23-53-41(43(51)45-37-33-13-5-3-11-31(33)25-35(37)47)39(49)40(50)42(54-24-8-10-30-21-17-28(2)18-22-30)44(52)46-38-34-14-6-4-12-32(34)26-36(38)48/h3-22,35-42,47-50H,23-26H2,1-2H3,(H,45,51)(H,46,52)/b9-7+,10-8+/t35-,36-,37+,38+,39-,40-,41-,42-/m1/s1
chemicalCompound:standardIn...	VAGUORUDWKPRCI-RLOOOFOOSA-N
chemicalCompound:canonicalS...	Cc1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(C)cc2)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C(=O)N[C@@H]5[C@H](O)Cc6ccccc56)cc1
chemicalCompound:molecularF...	C44 H48 N2 O8
chemicalCompound:moleculeId	295242
chemicalCompound:mwFreebase	732.861
chemicalCompound:alogp	4.716
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	157.57
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.513
chemicalCompound:acdLogP	8.098
chemicalCompound:acdLogD	8.097
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	732.861
chemicalCompound:chemblId	CHEMBL368479
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:395242
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:839125, activity:839126, activity:839127, activity:839128