6403

Source:http://linkedlifedata.com/resource/chembl/compound/6403

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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/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m1/s1
chemicalCompound:standardIn...	ILLGYRJAYAAAEW-MRVPVSSYSA-N
chemicalCompound:canonicalS...	CN1CCC[C@@H]1c2onc(C)c2
chemicalCompound:molecularF...	C9 H14 N2 O
chemicalCompound:moleculeId	6403
chemicalCompound:mwFreebase	166.22
chemicalCompound:alogp	1.314
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	29.27
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.608
chemicalCompound:acdLogD	-0.881
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	166.22
chemicalCompound:acdMostBpk...	8.885
chemicalCompound:chemblId	CHEMBL268750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106403
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:234656, activity:234657, activity:856077, activity:1210596, activity:1210597, activity:1210598, activity:1210599