1111928

Source:http://linkedlifedata.com/resource/chembl/compound/1111928

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/C22H28N6O3/c1-15-10-12-27(13-11-15)21-7-6-19-24-25-20(28(19)26-21)8-9-22(29)23-17-14-16(30-2)4-5-18(17)31-3/h4-7,14-15H,8-13H2,1-3H3,(H,23,29)
chemicalCompound:standardIn...	YWOFOVXRULSQRG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(NC(=O)CCc2nnc3ccc(nn23)N4CCC(C)CC4)c1
chemicalCompound:molecularF...	C22H28N6O3
chemicalCompound:moleculeId	1111928
chemicalCompound:mwFreebase	424.496
chemicalCompound:alogp	2.331
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	93.88
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.252
chemicalCompound:acdLogP	3.505
chemicalCompound:acdLogD	3.505
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.496
chemicalCompound:acdMostBpk...	3.845
chemicalCompound:chemblId	CHEMBL1731197
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1211928
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:5603025, activity:5814313, activity:5898906, activity:6683017, activity:7078576