1037651

Source:http://linkedlifedata.com/resource/chembl/compound/1037651

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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/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2/t11?,12-,13+,14+,18?
chemicalCompound:standardIn...	MLWGAEVSWJXOQJ-PBEACHQXSA-N
chemicalCompound:canonicalS...	OC1CN2[C@@H]3C[C@H](C[C@H]2CC1C3)OC(=O)c4c[nH]c5ccccc45
chemicalCompound:molecularF...	C19H22N2O3
chemicalCompound:moleculeId	1037651
chemicalCompound:mwFreebase	326.39
chemicalCompound:alogp	2.005
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	65.56
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.778
chemicalCompound:acdLogD	1.232
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	326.39
chemicalCompound:acdMostBpk...	8.826
chemicalCompound:chemblId	CHEMBL1614645
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1137651
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:5079317, activity:5079345, activity:5082862, activity:5083001, activity:5083206, activity:5083389, activity:5083476, activity:5083488