28635

Source:http://linkedlifedata.com/resource/chembl/compound/28635

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C27H22N2O5/c28-13-17-8-19-10-21(4-5-23(19)24(9-17)18-6-7-31-14-18)32-15-20-2-1-3-25(29-20)27(30)11-22-16-33-26(12-27)34-22/h1-10,14,22,26,30H,11-12,15-16H2
chemicalCompound:standardIn...	LBKHEHIDDIEBSX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC1(CC2COC(C1)O2)c3cccc(COc4ccc5c(cc(cc5c4)C#N)c6cocc6)n3
chemicalCompound:molecularF...	C27 H22 N2 O5
chemicalCompound:moleculeId	28635
chemicalCompound:mwFreebase	454.474
chemicalCompound:alogp	3.501
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	97.74
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.858
chemicalCompound:acdLogP	3.836
chemicalCompound:acdLogD	3.835
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	454.474
chemicalCompound:acdMostBpk...	3.971
chemicalCompound:chemblId	CHEMBL278293
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:128635
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:1110025, activity:1110026, activity:1110027, activity:1110028, activity:1110029, activity:1110030, activity:1110031, activity:1110032, activity:1110033, activity:1110034, activity:1110035, activity:1110036, activity:1110037, activity:1198218, activity:1198219, activity:1198220