106866

Source:http://linkedlifedata.com/resource/chembl/compound/106866

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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/C22H22N6O6/c23-19-15-9-12(1-6-16(15)26-22(24)27-19)10-28(11-29)14-4-2-13(3-5-14)20(32)25-17(21(33)34)7-8-18(30)31/h1-6,9,11,17H,7-8,10H2,(H,25,32)(H,30,31)(H,33,34)(H4,23,24,26,27)
chemicalCompound:standardIn...	WFKZHYAJLQEESN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2cc(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)ccc2n1
chemicalCompound:molecularF...	C22 H22 N6 O6
chemicalCompound:moleculeId	106866
chemicalCompound:mwFreebase	466.447
chemicalCompound:alogp	0.661
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	201.83
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.412
chemicalCompound:acdLogP	0.247
chemicalCompound:acdLogD	-3.321
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	466.447
chemicalCompound:acdMostBpk...	7.942
chemicalCompound:chemblId	CHEMBL303654
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:206866
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:730614, activity:730615, activity:964649, activity:1024572, activity:1103118, activity:1103119, activity:1103120, activity:1103121, activity:1103122, activity:1103123, activity:1103124, activity:1103125, activity:1103126, activity:1103127, activity:1103128, activity:1103129, activity:1103130