197047

Source:http://linkedlifedata.com/resource/chembl/compound/197047

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/C15H30N4O4/c1-7-8-9-10(16-14(22)18-23)12(20)17-11(15(2,3)4)13(21)19(5)6/h10-11,23H,7-9H2,1-6H3,(H,17,20)(H2,16,18,22)/t10-,11+/m0/s1
chemicalCompound:standardIn...	OISSDQAWUVYDOE-WDEREUQCSA-N
chemicalCompound:canonicalS...	CCCC[C@H](NC(=O)NO)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
chemicalCompound:molecularF...	C15 H30 N4 O4
chemicalCompound:moleculeId	197047
chemicalCompound:mwFreebase	330.423
chemicalCompound:alogp	1.023
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	110.77
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.928
chemicalCompound:acdLogP	1.455
chemicalCompound:acdLogD	1.452
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.423
chemicalCompound:chemblId	CHEMBL331207
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:297047
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:639142, activity:639143, activity:639144