361716

Source:http://linkedlifedata.com/resource/chembl/compound/361716

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C18H28N4O3/c1-3-9-21-16-14(17(24)22(10-4-2)18(21)25)19-15(20-16)13-7-5-12(11-23)6-8-13/h12-13,23H,3-11H2,1-2H3,(H,19,20)/t12-,13-
chemicalCompound:standardIn...	HHQNZNMFDUUTOQ-JOCQHMNTSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@@H]3CC[C@@H](CO)CC3
chemicalCompound:molecularF...	C18 H28 N4 O3
chemicalCompound:moleculeId	361716
chemicalCompound:mwFreebase	348.44
chemicalCompound:alogp	2.642
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	89.53
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.928
chemicalCompound:acdLogP	2.493
chemicalCompound:acdLogD	2.481
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.44
chemicalCompound:acdMostBpk...	2.065
chemicalCompound:chemblId	CHEMBL384139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461716
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:1781397, activity:1781418, activity:1781419, activity:1781420, activity:1781421