116

Source:http://linkedlifedata.com/resource/chembl/compound/116

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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/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1
chemicalCompound:standardIn...	MYKUKUCHPMASKF-VIFPVBQESA-N
chemicalCompound:canonicalS...	C1CN[C@@H](C1)c2cccnc2
chemicalCompound:molecularF...	C9 H12 N2
chemicalCompound:moleculeId	116
chemicalCompound:mwFreebase	148.205
chemicalCompound:alogp	0.706
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	24.92
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.681
chemicalCompound:acdLogD	-1.184
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	148.205
chemicalCompound:acdMostBpk...	9.088
chemicalCompound:chemblId	CHEMBL6200
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100116
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28313
chemicalCompound:activity	activity:233313, activity:233314, activity:725115, activity:725116, activity:850747, activity:850748, activity:1204008, activity:1204009, activity:1204010, activity:1204011, activity:1204012