9989

Source:http://linkedlifedata.com/resource/chembl/compound/9989

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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/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
chemicalCompound:standardIn...	VTTONGPRPXSUTJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCc1c[nH]c2ccc(O)cc12
chemicalCompound:molecularF...	C12H16N2O
chemicalCompound:moleculeId	9989
chemicalCompound:mwFreebase	204.268
chemicalCompound:alogp	2.276
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	39.26
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.113
chemicalCompound:acdLogP	1.576
chemicalCompound:acdLogD	-0.219
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	204.268
chemicalCompound:acdMostBpk...	9.424
chemicalCompound:chemblId	CHEMBL416526
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:109989
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	BUFOTENINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:3210
chemicalCompound:activity	activity:39194, activity:39195, activity:39196, activity:39197, activity:39198, activity:206939, activity:243501, activity:243502, activity:243503, activity:243504, activity:447315, activity:831738, activity:867885, activity:867886, activity:867887, activity:867888, activity:1012328, activity:1012329, activity:1012330, activity:1129055, activity:1129056, activity:1427158, activity:2930066