129368

Source:http://linkedlifedata.com/resource/chembl/compound/129368

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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/C23H27N5O4/c1-2-3-4-5-6-14-30-17-12-10-16(11-13-17)23(29)24-18-8-7-9-19-21(18)32-20(15-31-19)22-25-27-28-26-22/h7-13,20H,2-6,14-15H2,1H3,(H,24,29)(H,25,26,27,28)
chemicalCompound:standardIn...	AIANCPCQGZTGKM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCOc1ccc(cc1)C(=O)Nc2cccc3OCC(Oc23)c4nn[nH]n4
chemicalCompound:molecularF...	C23 H27 N5 O4
chemicalCompound:moleculeId	129368
chemicalCompound:mwFreebase	437.492
chemicalCompound:alogp	4.537
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	111.25
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.932
chemicalCompound:acdLogP	4.606
chemicalCompound:acdLogD	2.62
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	437.492
chemicalCompound:acdMostBpk...	0.523
chemicalCompound:chemblId	CHEMBL80993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:229368
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:267534, activity:267535, activity:851215