106755

Source:http://linkedlifedata.com/resource/chembl/compound/106755

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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/C22H24N6O5/c1-28(11-12-2-7-16-15(10-12)19(23)27-22(24)26-16)14-5-3-13(4-6-14)20(31)25-17(21(32)33)8-9-18(29)30/h2-7,10,17H,8-9,11H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)
chemicalCompound:standardIn...	GVCHCLIZELWQCL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(Cc1ccc2nc(N)nc(N)c2c1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
chemicalCompound:molecularF...	C22 H24 N6 O5
chemicalCompound:moleculeId	106755
chemicalCompound:mwFreebase	452.463
chemicalCompound:alogp	1.576
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	184.75
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.492
chemicalCompound:acdLogP	0.648
chemicalCompound:acdLogD	-2.919
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	452.463
chemicalCompound:acdMostBpk...	7.867
chemicalCompound:chemblId	CHEMBL304397
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206755
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:749825, activity:749826, activity:1104464, activity:1104465, activity:1104466, activity:1104467, activity:1104468, activity:1104469, activity:1104470, activity:1104471, activity:1104472, activity:1104473, activity:1104474, activity:1104475, activity:1104476, activity:1104477, activity:1104478, activity:1104479, activity:1104480