22385

Source:http://linkedlifedata.com/resource/chembl/compound/22385

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:22385_Imetit_OTHER
chemicalCompound:standardIn...	InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
chemicalCompound:standardIn...	PEHSVUKQDJULKE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)SCCc1c[nH]cn1
chemicalCompound:molecularF...	C6H10N4S
chemicalCompound:moleculeId	22385
chemicalCompound:mwFreebase	170.235
chemicalCompound:alogp	0.357
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	103.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.063
chemicalCompound:acdLogD	-1.349
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	170.235
chemicalCompound:acdMostBpk...	8.504
chemicalCompound:chemblId	CHEMBL19439
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:122385
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	IMETIT
chemicalCompound:activity	activity:150133, activity:150134, activity:177150, activity:177151, activity:264056, activity:264057, activity:264058, activity:432102, activity:432103, activity:432104, activity:432105, activity:432106, activity:481747, activity:481748, activity:481749, activity:481750, activity:481751, activity:481752, activity:618912, activity:1125041, activity:1152711, activity:2358728, activity:2670107, activity:2670109, activity:2693805, activity:3297745, activity:3297746, activity:3297747, activity:3297778, activity:3297779, activity:3297780, activity:3617294, activity:3929195, activity:4155288, activity:4506488, activity:4809515, activity:4969580, activity:4977882, activity:4990147, activity:4994361, activity:5029254, activity:5034880, activity:5046910, activity:5074222, activity:5100487, activity:5100516, activity:5100531, activity:5100546, activity:5100561, activity:5100575, activity:5100590, activity:5345540, activity:5527807, activity:5697978, activity:5778182, activity:5851777, activity:5975512, activity:5992750, activity:5999779, activity:6003856, activity:6013892, activity:6023122, activity:6040157, activity:6041853, activity:6045937