378008

Source:http://linkedlifedata.com/resource/chembl/compound/378008

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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/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
chemicalCompound:standardIn...	HGXBRUKMWQGOIE-NSMLZSOPSA-N
chemicalCompound:canonicalS...	COc1cc(ccc1O)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4ccc(O)c(OC)c4
chemicalCompound:molecularF...	C20H22O6
chemicalCompound:moleculeId	378008
chemicalCompound:mwFreebase	358.385
chemicalCompound:alogp	2.184
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	77.38
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.536
chemicalCompound:acdLogP	1.591
chemicalCompound:acdLogD	1.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.385
chemicalCompound:chemblId	CHEMBL267963
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:478008
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:2071360, activity:2136593, activity:2136598, activity:2197490, activity:2197526, activity:2337599, activity:2337642, activity:2337685, activity:2337728, activity:2337771, activity:2358138, activity:2540028, activity:2558760, activity:2558764, activity:2558768, activity:2558773, activity:7990534, activity:7990546