1169979

Source:http://linkedlifedata.com/resource/chembl/compound/1169979

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:88021
chemicalCompound:standardIn...	InChI=1S/C26H18N4O6.2Na/c31-23-11-9-19(13-21(23)25(33)34)29-27-17-5-1-15(2-6-17)16-3-7-18(8-4-16)28-30-20-10-12-24(32)22(14-20)26(35)36;;/h1-14,31-32H,(H,33,34)(H,35,36);;/q;2*+1/p-2/b29-27+,30-28+;;
chemicalCompound:standardIn...	AZOPGDOIOXKJRA-ZQGAZYNISA-L
chemicalCompound:canonicalS...	[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4ccc(O)c(c4)C(=O)[O-]
chemicalCompound:molecularF...	C26H16N4Na2O6
chemicalCompound:moleculeId	1169979
chemicalCompound:mwFreebase	482.444
chemicalCompound:alogp	6.862
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	164.5
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.708
chemicalCompound:acdLogP	7.135
chemicalCompound:acdLogD	2.985
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	526.408
chemicalCompound:chemblId	CHEMBL1817788
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1269979
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:6325695, activity:6325700, activity:6325705