806409

Source:http://linkedlifedata.com/resource/chembl/compound/806409

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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/C21H21N5O6/c1-14-5-7-18(8-6-14)32-19-12-16(11-17(13-19)25(28)29)22-21(27)4-3-9-24-15(2)10-20(23-24)26(30)31/h5-8,10-13H,3-4,9H2,1-2H3,(H,22,27)
chemicalCompound:standardIn...	VZXQLBZUZNULIW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(Oc2cc(NC(=O)CCCn3nc(cc3C)[N+](=O)[O-])cc(c2)[N+](=O)[O-])cc1
chemicalCompound:molecularF...	C21H21N5O6
chemicalCompound:moleculeId	806409
chemicalCompound:mwFreebase	439.421
chemicalCompound:alogp	4.205
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	147.79
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.353
chemicalCompound:acdLogP	4.044
chemicalCompound:acdLogD	4.044
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.421
chemicalCompound:chemblId	CHEMBL1382525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:906409
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:3647466, activity:3948173, activity:4220979, activity:4415498, activity:4561555, activity:5352831, activity:5409245, activity:5686845, activity:5789527, activity:5873030, activity:6466501, activity:7299693, activity:7532548, activity:10788373