346245

Source:http://linkedlifedata.com/resource/chembl/compound/346245

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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/C30H29NO8/c1-3-36-26(32)16-23-27(29(34)31-23)19(2)39-30(35)22-14-24(37-17-20-10-6-4-7-11-20)28(33)25(15-22)38-18-21-12-8-5-9-13-21/h4-16,19,27,33H,3,17-18H2,1-2H3,(H,31,34)/b23-16-/t19-,27-/m1/s1
chemicalCompound:standardIn...	WJMUWEBGODGZSG-OXHAUKAOSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C=C\1/NC(=O)[C@@H]1[C@@H](C)OC(=O)c2cc(OCc3ccccc3)c(O)c(OCc4ccccc4)c2
chemicalCompound:molecularF...	C30 H29 N O8
chemicalCompound:moleculeId	346245
chemicalCompound:mwFreebase	531.553
chemicalCompound:alogp	4.362
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	120.39
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.147
chemicalCompound:acdLogP	6.558
chemicalCompound:acdLogD	6.123
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	531.553
chemicalCompound:chemblId	CHEMBL207176
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:446245
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:1712942, activity:1712943, activity:1712998, activity:1712999, activity:1713054, activity:1713055, activity:1713110, activity:1713111, activity:1713168, activity:1713169, activity:1713224, activity:1713225, activity:1713278, activity:1713279, activity:5111708