19206

Source:http://linkedlifedata.com/resource/chembl/compound/19206

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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/C19H21N7O5/c20-15-14-10(8-23-16(14)26-19(21)25-15)7-22-11-3-1-9(2-4-11)17(29)24-12(18(30)31)5-6-13(27)28/h1-4,8,12,22H,5-7H2,(H,24,29)(H,27,28)(H,30,31)(H5,20,21,23,25,26)
chemicalCompound:standardIn...	NVNGVVOWLVRFNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)c[nH]c2n1
chemicalCompound:molecularF...	C19 H21 N7 O5
chemicalCompound:moleculeId	19206
chemicalCompound:mwFreebase	427.414
chemicalCompound:alogp	0.378
chemicalCompound:hba	10
chemicalCompound:hbd	7
chemicalCompound:psa	209.33
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.493
chemicalCompound:acdLogP	0.038
chemicalCompound:acdLogD	-3.514
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	427.414
chemicalCompound:acdMostBpk...	8.19
chemicalCompound:chemblId	CHEMBL17232
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119206
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:792499, activity:792500, activity:792501, activity:1152532, activity:1152533, activity:1152534, activity:1152535, activity:1152536, activity:1152537, activity:1152538, activity:1152539, activity:1152540, activity:1152541, activity:1152542, activity:1152543, activity:1152544