40405

Source:http://linkedlifedata.com/resource/chembl/compound/40405

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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/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
chemicalCompound:standardIn...	REZGGXNDEMKIQB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCOc1ccccc1C2=Nc3nn[nH]c3C(=O)N2
chemicalCompound:molecularF...	C13H13N5O2
chemicalCompound:moleculeId	40405
chemicalCompound:mwFreebase	271.275
chemicalCompound:alogp	2.156
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	92.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.919
chemicalCompound:acdLogP	2.354
chemicalCompound:acdLogD	1.31
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	271.275
chemicalCompound:acdMostBpk...	1.513
chemicalCompound:chemblId	CHEMBL28079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140405
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ZAPRINAST
chemicalCompound:activity	activity:70891, activity:70892, activity:151099, activity:151100, activity:151101, activity:151102, activity:151103, activity:151104, activity:151105, activity:347634, activity:347635, activity:347636, activity:347637, activity:347638, activity:500307, activity:500308, activity:500309, activity:500310, activity:500311, activity:566282, activity:566283, activity:566284, activity:566285, activity:566286, activity:566287, activity:641634, activity:641635, activity:641636, activity:669983, activity:669984, activity:669985, activity:669986, activity:669987, activity:799307, activity:799308, activity:799309, activity:844485, activity:844486, activity:844487, activity:863269, activity:863270, activity:863271, activity:863272, activity:863273, activity:863274, activity:864303, activity:864304, activity:864305, activity:947070, activity:947071, activity:947072, activity:1161346, activity:1161347, activity:1161348, activity:1161349, activity:1161350, activity:1412266, activity:1412267, activity:1412268, activity:1412269, activity:1412270, activity:1506517, activity:1506518, activity:1506519, activity:1506520