36217

Source:http://linkedlifedata.com/resource/chembl/compound/36217

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/C21H26N4O5/c1-4-11-24-19-17(20(27)25(12-5-2)21(24)28)22-18(23-19)14-7-9-15(10-8-14)30-13-16(26)29-6-3/h7-10H,4-6,11-13H2,1-3H3,(H,22,23)
chemicalCompound:standardIn...	MVDJCRHMFYMNMB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(OCC(=O)OCC)cc3
chemicalCompound:molecularF...	C21 H26 N4 O5
chemicalCompound:moleculeId	36217
chemicalCompound:mwFreebase	414.455
chemicalCompound:alogp	3.126
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	104.83
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.225
chemicalCompound:acdLogP	3.838
chemicalCompound:acdLogD	3.778
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.455
chemicalCompound:acdMostBpk...	1.284
chemicalCompound:chemblId	CHEMBL27762
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136217
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:921864, activity:921865, activity:921866, activity:1112704, activity:1112705, activity:1112706