842925

Source:http://linkedlifedata.com/resource/chembl/compound/842925

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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/C18H18N4O5/c1-12-4-2-3-5-15(12)20-17(24)8-9-18(25)21-19-11-13-10-14(22(26)27)6-7-16(13)23/h2-7,10-11,23H,8-9H2,1H3,(H,20,24)(H,21,25)
chemicalCompound:standardIn...	BRZQSUSWCDYNGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccccc1NC(=O)CCC(=O)NN=Cc2cc(ccc2O)[N+](=O)[O-]
chemicalCompound:molecularF...	C18H18N4O5
chemicalCompound:moleculeId	842925
chemicalCompound:mwFreebase	370.359
chemicalCompound:alogp	2.157
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	136.6
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.514
chemicalCompound:acdLogP	3.525
chemicalCompound:acdLogD	1.585
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	370.359
chemicalCompound:acdMostBpk...	1.139
chemicalCompound:chemblId	CHEMBL1419041
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942925
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:3634541, activity:3737640, activity:4012425, activity:4083851, activity:4126707, activity:4129098, activity:4302564, activity:4338356, activity:4404464, activity:4432035, activity:4587536, activity:4604771, activity:4678572, activity:4773574, activity:5533528, activity:5795764, activity:5879356, activity:6581807, activity:7147333, activity:7352319, activity:7519479