6396

Source:http://linkedlifedata.com/resource/chembl/compound/6396

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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/C8H12N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h5,7,9H,2-4H2,1H3/t7-/m1/s1
chemicalCompound:standardIn...	PJMAXCRZQLWZFH-SSDOTTSWSA-N
chemicalCompound:canonicalS...	Cc1cc(on1)[C@H]2CCCN2
chemicalCompound:molecularF...	C8 H12 N2 O
chemicalCompound:moleculeId	6396
chemicalCompound:mwFreebase	152.194
chemicalCompound:alogp	0.778
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.06
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.233
chemicalCompound:acdLogD	-0.123
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	152.194
chemicalCompound:acdMostBpk...	8.744
chemicalCompound:chemblId	CHEMBL274524
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:106396
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:260212, activity:260213, activity:1218535, activity:1218536, activity:1218537, activity:1218538