843005

Source:http://linkedlifedata.com/resource/chembl/compound/843005

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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/C15H12N2O7/c18-12(10-3-5-11(6-4-10)17(21)22)9-24-14(19)8-16-15(20)13-2-1-7-23-13/h1-7H,8-9H2,(H,16,20)
chemicalCompound:standardIn...	XEHHJKGFLUHKLP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)CNC(=O)c2occc2
chemicalCompound:molecularF...	C15H12N2O7
chemicalCompound:moleculeId	843005
chemicalCompound:mwFreebase	332.265
chemicalCompound:alogp	1.29
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	131.43
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.363
chemicalCompound:acdLogP	1.213
chemicalCompound:acdLogD	1.213
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	332.265
chemicalCompound:chemblId	CHEMBL1419121
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:943005
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:4339341, activity:4360161, activity:4470098, activity:5503390, activity:5543933, activity:5586177, activity:5708077, activity:6429811, activity:6472624, activity:6722594, activity:6758143, activity:7066599, activity:7464663