385348

Source:http://linkedlifedata.com/resource/chembl/compound/385348

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:385348_KADSUPHILOL A_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C22H26O7/c1-10-6-12-7-14(25-3)20(26-4)19(24)16(12)17-13(18(23)11(10)2)8-15-21(22(17)27-5)29-9-28-15/h7-8,10-11,18,23-24H,6,9H2,1-5H3/t10-,11-,18-/m1/s1
chemicalCompound:standardIn...	CWTKKMAJNZCARV-PJYBLOJUSA-N
chemicalCompound:canonicalS...	COc1cc2C[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3c2c(O)c1OC
chemicalCompound:molecularF...	C22 H26 O7
chemicalCompound:moleculeId	385348
chemicalCompound:mwFreebase	402.438
chemicalCompound:alogp	3.807
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	86.61
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.864
chemicalCompound:acdLogP	3.393
chemicalCompound:acdLogD	3.379
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.438
chemicalCompound:chemblId	CHEMBL447240
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:485348
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	KADSUPHILOL A
chemicalCompound:activity	activity:1912442, activity:1912443, activity:1912444, activity:1912445, activity:1912446