82779

Source:http://linkedlifedata.com/resource/chembl/compound/82779

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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/C24H35NO7/c1-13(14(2)26)24-21(32-24)9-16-12-31-20(23(30)22(16)29)11-18(27)10-19(28)15-5-7-17(8-6-15)25(3)4/h5-8,13-14,16,20-24,26,29-30H,9-12H2,1-4H3/t13-,14-,16-,20-,21-,22+,23-,24-/m0/s1
chemicalCompound:standardIn...	PZNYLSNDBVUFMK-YOEWJJJQSA-N
chemicalCompound:canonicalS...	C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](CC(=O)CC(=O)c3ccc(cc3)N(C)C)[C@H](O)[C@@H]2O
chemicalCompound:molecularF...	C24 H35 N O7
chemicalCompound:moleculeId	82779
chemicalCompound:mwFreebase	449.537
chemicalCompound:alogp	0.829
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	119.83
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.801
chemicalCompound:acdLogP	2.011
chemicalCompound:acdLogD	2.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.537
chemicalCompound:acdMostBpk...	1.761
chemicalCompound:chemblId	CHEMBL53212
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182779
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:1111648, activity:1111649, activity:1111650, activity:1111651, activity:1111652