550138

Source:http://linkedlifedata.com/resource/chembl/compound/550138

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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:662623
chemicalCompound:standardIn...	InChI=1S/C20H22N8O6.ClH/c1-26-9-11(7-13(26)18(29)23-6-5-16(21)22)24-19(30)14-8-12(10-27(14)2)25-20(31)15-3-4-17(34-15)28(32)33;/h3-4,7-10H,5-6H2,1-2H3,(H3,21,22)(H,23,29)(H,24,30)(H,25,31);1H
chemicalCompound:standardIn...	CXRBPXVNSGAVDU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3oc(cc3)[N+](=O)[O-])cn2C)cc1C(=O)NCCC(=N)N
chemicalCompound:molecularF...	C20H23ClN8O6
chemicalCompound:moleculeId	550138
chemicalCompound:mwFreebase	470.439
chemicalCompound:alogp	0.36
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	205.98
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.835
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-1.998
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	506.9
chemicalCompound:acdMostBpk...	11.733
chemicalCompound:chemblId	CHEMBL537012
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:650138
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:170479, activity:170480, activity:170481, activity:170482