1297666

Source:http://linkedlifedata.com/resource/chembl/compound/1297666

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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/C19H19N5O2S/c1-25-16-9-8-13(10-17(16)26-2)18-14(11-21-22-19(20)27)12-24(23-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H3,20,22,27)/b21-11+
chemicalCompound:standardIn...	GXYGKYDRUGRFRE-SRZZPIQSSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1OC)c2nn(cc2\C=N\NC(=S)N)c3ccccc3
chemicalCompound:molecularF...	C19H19N5O2S
chemicalCompound:moleculeId	1297666
chemicalCompound:mwFreebase	381.451
chemicalCompound:alogp	3.94
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	118.78
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.208
chemicalCompound:acdLogP	1.932
chemicalCompound:acdLogD	1.931
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	381.451
chemicalCompound:acdMostBpk...	0.99
chemicalCompound:chemblId	CHEMBL1976375
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1397666
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:3648732, activity:3730210, activity:3949137, activity:3977464, activity:4097433, activity:4423580, activity:4482321, activity:4526332, activity:4549890, activity:4590081, activity:4786693, activity:5364322, activity:5603527, activity:5725297, activity:5813894, activity:5853248, activity:5865847, activity:5906815, activity:5959785, activity:6491745, activity:6968401, activity:7072834, activity:7093035, activity:7318210, activity:7379374, activity:7451665, activity:9791198