893181

Source:http://linkedlifedata.com/resource/chembl/compound/893181

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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/C12H18N4O2/c1-16(2)7-3-6-13-12(17)10-4-5-11(9-15-18)14-8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,13,17)
chemicalCompound:standardIn...	OKVPUPXLGMFODQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNC(=O)c1ccc(C=NO)nc1
chemicalCompound:molecularF...	C12H18N4O2
chemicalCompound:moleculeId	893181
chemicalCompound:mwFreebase	250.297
chemicalCompound:alogp	0.343
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	77.81
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.703
chemicalCompound:acdLogP	0.931
chemicalCompound:acdLogD	-0.761
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	250.297
chemicalCompound:acdMostBpk...	9.32
chemicalCompound:chemblId	CHEMBL1469297
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:993181
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:3845008, activity:3852539, activity:4365978, activity:4741247, activity:4936021, activity:5379207, activity:5603039, activity:5676880, activity:5898917, activity:6683036, activity:6929221, activity:7078591, activity:7424288