406727

Source:http://linkedlifedata.com/resource/chembl/compound/406727

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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/C18H27N5O6/c1-2-3-4-5-6-7-11(25)29-14-13(26)10(8-24)28-17(14)23-9-20-12-15(23)21-18(19)22-16(12)27/h9-10,13-14,17,24,26H,2-8H2,1H3,(H3,19,21,22,27)/t10-,13-,14+,17-/m1/s1
chemicalCompound:standardIn...	APHMYBFHRYMEFE-MJRMRKOOSA-N
chemicalCompound:canonicalS...	CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
chemicalCompound:molecularF...	C18 H27 N5 O6
chemicalCompound:moleculeId	406727
chemicalCompound:mwFreebase	409.437
chemicalCompound:alogp	0.947
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	161.29
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.644
chemicalCompound:acdLogP	1.98
chemicalCompound:acdLogD	1.977
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.437
chemicalCompound:acdMostBpk...	2.42
chemicalCompound:chemblId	CHEMBL241793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506727
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:2024119, activity:2024137, activity:2024172, activity:2024198, activity:2024228, activity:2024246