207636

Source:http://linkedlifedata.com/resource/chembl/compound/207636

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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/C22H25N7O5/c1-2-14-12(10-26-19-17(14)18(23)28-22(24)29-19)9-25-13-5-3-11(4-6-13)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10,15,25H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,26,28,29)
chemicalCompound:standardIn...	ZKQYYDSDLPDDIZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1c(CNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)cnc3nc(N)nc(N)c13
chemicalCompound:molecularF...	C22 H25 N7 O5
chemicalCompound:moleculeId	207636
chemicalCompound:mwFreebase	467.478
chemicalCompound:alogp	1.21
chemicalCompound:hba	11
chemicalCompound:hbd	6
chemicalCompound:psa	206.44
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.481
chemicalCompound:acdLogP	0.208
chemicalCompound:acdLogD	-3.904
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	467.478
chemicalCompound:acdMostBpk...	6.569
chemicalCompound:chemblId	CHEMBL340673
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:307636
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:840665, activity:840666, activity:840667, activity:840668, activity:840669, activity:840670, activity:840671, activity:840672, activity:840673, activity:840674, activity:840675, activity:840676, activity:840677, activity:840678, activity:840679, activity:840680, activity:840681, activity:840682, activity:840683, activity:840684, activity:840685, activity:840686, activity:840687, activity:840688, activity:840689, activity:840690