619425

Source:http://linkedlifedata.com/resource/chembl/compound/619425

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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/C28H36N2O6/c1-35-25-19-21(9-13-23(25)31)11-15-27(33)29-17-7-5-3-4-6-8-18-30-28(34)16-12-22-10-14-24(32)26(20-22)36-2/h9-16,19-20,31-32H,3-8,17-18H2,1-2H3,(H,29,33)(H,30,34)/b15-11+,16-12+
chemicalCompound:standardIn...	HYXMXZZZCWWFII-JOBJLJCHSA-N
chemicalCompound:canonicalS...	COc1cc(\C=C\C(=O)NCCCCCCCCNC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
chemicalCompound:molecularF...	C28H36N2O6
chemicalCompound:moleculeId	619425
chemicalCompound:mwFreebase	496.595
chemicalCompound:alogp	4.78
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	117.12
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.532
chemicalCompound:acdLogP	4.304
chemicalCompound:acdLogD	4.301
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.595
chemicalCompound:chemblId	CHEMBL1090445
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719425
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:3254842, activity:3254926