1046212

Source:http://linkedlifedata.com/resource/chembl/compound/1046212

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C24H30N4O3/c1-17(2)31-23(29)25-20-11-10-19-9-8-18-6-4-5-7-21(18)28(22(19)16-20)24(30)27-14-12-26(3)13-15-27/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,29)
chemicalCompound:standardIn...	JHGXRJAFYGXXHM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)N4CCN(C)CC4)c2c1
chemicalCompound:molecularF...	C24H30N4O3
chemicalCompound:moleculeId	1046212
chemicalCompound:mwFreebase	422.52
chemicalCompound:alogp	3.982
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	65.12
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.641
chemicalCompound:acdLogP	2.688
chemicalCompound:acdLogD	2.601
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.52
chemicalCompound:acdMostBpk...	6.787
chemicalCompound:chemblId	CHEMBL1623261
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1146212
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No