31273

Source:http://linkedlifedata.com/resource/chembl/compound/31273

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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/C28H27NO5/c30-19-6-10-22-24(16-19)34-28-23-11-7-20(31)17-25(23)33-27(26(22)28)18-4-8-21(9-5-18)32-15-14-29-12-2-1-3-13-29/h4-11,16-17,27,30-31H,1-3,12-15H2
chemicalCompound:standardIn...	GZZGPSDJPCNNQC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(OC(c3ccc(OCCN4CCCCC4)cc3)c5c2oc6cc(O)ccc56)c1
chemicalCompound:molecularF...	C28 H27 N O5
chemicalCompound:moleculeId	31273
chemicalCompound:mwFreebase	457.518
chemicalCompound:alogp	5.848
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	75.3
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.818
chemicalCompound:acdLogP	5.59
chemicalCompound:acdLogD	4.316
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	457.518
chemicalCompound:acdMostBpk...	8.63
chemicalCompound:chemblId	CHEMBL26057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131273
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:861722, activity:861723, activity:861724, activity:861725, activity:1070123, activity:1070124, activity:1070125, activity:1070126, activity:1070127, activity:1070128, activity:1070129