488331

Source:http://linkedlifedata.com/resource/chembl/compound/488331

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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:488331_(+/-)-EXO-EPIBOXIDINE_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
chemicalCompound:standardIn...	GEEFPQBPVBFCSD-HRDYMLBCSA-N
chemicalCompound:canonicalS...	Cc1cc(on1)[C@H]2C[C@H]3CC[C@H]2N3
chemicalCompound:molecularF...	C10H14N2O
chemicalCompound:moleculeId	488331
chemicalCompound:mwFreebase	178.231
chemicalCompound:alogp	1
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.06
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.279
chemicalCompound:acdLogD	-1.233
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	178.231
chemicalCompound:acdMostBpk...	10.141
chemicalCompound:chemblId	CHEMBL503604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:588331
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	EXO-EPIBOXIDINE
chemicalCompound:activity	activity:2570607, activity:2570610, activity:2570621, activity:2570623, activity:2570624, activity:2570625