1012

Source:http://linkedlifedata.com/resource/chembl/compound/1012

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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/C15H22N2O2/c1-10(2)14-15(19)16-12(9-18)8-11-6-4-5-7-13(11)17(14)3/h4-7,10,12,14,18H,8-9H2,1-3H3,(H,16,19)/t12-,14-/m0/s1
chemicalCompound:standardIn...	OBEJTRHPRSRHSZ-JSGCOSHPSA-N
chemicalCompound:canonicalS...	CC(C)[C@@H]1N(C)c2ccccc2C[C@@H](CO)NC1=O
chemicalCompound:molecularF...	C15 H22 N2 O2
chemicalCompound:moleculeId	1012
chemicalCompound:mwFreebase	262.347
chemicalCompound:alogp	1.943
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	52.57
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.072
chemicalCompound:acdLogD	1.072
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	262.347
chemicalCompound:acdMostBpk...	3.156
chemicalCompound:chemblId	CHEMBL267144
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101012
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:426747, activity:534148, activity:534149, activity:702320, activity:1168339, activity:2064446, activity:2064450, activity:2064454, activity:2064458, activity:2064491, activity:2064492