1313399

Source:http://linkedlifedata.com/resource/chembl/compound/1313399

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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/C17H17N3O7/c18-6-9-11(8-4-2-1-3-5-8)19-17(26)20(15(9)25)16-14(24)13(23)12(22)10(7-21)27-16/h1-5,10,12-14,16,21-24H,7H2,(H,19,26)
chemicalCompound:standardIn...	YEMPSUVPEYNEAA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC(C(O)C(O)C1O)N2C(=O)NC(=C(C#N)C2=O)c3ccccc3
chemicalCompound:molecularF...	C17H17N3O7
chemicalCompound:moleculeId	1313399
chemicalCompound:mwFreebase	375.333
chemicalCompound:alogp	-1.374
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	163.35
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.342
chemicalCompound:acdLogP	0.295
chemicalCompound:acdLogD	-1.456
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	375.333
chemicalCompound:chemblId	CHEMBL1992108
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1413399
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:8263463, activity:8285654, activity:8308852, activity:8323805, activity:8335541, activity:8350598, activity:8369658, activity:8389880, activity:8413983, activity:8466884, activity:8486865, activity:8506906, activity:8513725, activity:8520394, activity:8527042, activity:8551612, activity:8554094, activity:8585381, activity:8666695, activity:8669328, activity:8692916, activity:8704212, activity:8732846, activity:8739863, activity:8777458, activity:8784547, activity:8809763, activity:8816588, activity:8836864, activity:8857181, activity:8867871, activity:8870739, activity:8893082, activity:8912737, activity:8976329, activity:9006807, activity:9030438, activity:9036186, activity:9070861, activity:9081333, activity:9106560, activity:9132903, activity:9193426, activity:9224647, activity:9230971, activity:9232788, activity:9257144, activity:9259223, activity:9295007, activity:9325791, activity:9368911, activity:9371524, activity:9395261, activity:9402026, activity:9448463, activity:9474442, activity:9518077, activity:9546960, activity:9654109, activity:9692129, activity:9701784, activity:9728230, activity:9729934, activity:9752015, activity:9796590, activity:9822146, activity:9857260