406732

Source:http://linkedlifedata.com/resource/chembl/compound/406732

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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/C26H41N5O7/c1-3-5-7-9-11-13-18(33)28-26-29-23-20(24(36)30-26)27-16-31(23)25-22(21(35)17(15-32)37-25)38-19(34)14-12-10-8-6-4-2/h16-17,21-22,25,32,35H,3-15H2,1-2H3,(H2,28,29,30,33,36)/t17-,21-,22+,25-/m1/s1
chemicalCompound:standardIn...	YACNZCYULMFHME-SQTZCGGWSA-N
chemicalCompound:canonicalS...	CCCCCCCC(=O)NC1=Nc2c(ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)CCCCCCC)C(=O)N1
chemicalCompound:molecularF...	C26 H41 N5 O7
chemicalCompound:moleculeId	406732
chemicalCompound:mwFreebase	535.633
chemicalCompound:alogp	3.885
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	164.37
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.185
chemicalCompound:acdLogP	5.07
chemicalCompound:acdLogD	5.062
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	535.633
chemicalCompound:acdMostBpk...	1.743
chemicalCompound:chemblId	CHEMBL241166
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:506732
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:2024117, activity:2024135, activity:2024170, activity:2024196, activity:2024226, activity:2024247