359413

Source:http://linkedlifedata.com/resource/chembl/compound/359413

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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/C17H20N2O2S/c1-19-9-7-14(15(11-19)17(20)21-2)12-3-5-13(6-4-12)16-18-8-10-22-16/h3-6,8,10,14-15H,7,9,11H2,1-2H3/t14-,15-/m1/s1
chemicalCompound:standardIn...	GPTAGXQUMBWLOQ-HUUCEWRRSA-N
chemicalCompound:canonicalS...	COC(=O)[C@@H]1CN(C)CC[C@@H]1c2ccc(cc2)c3nccs3
chemicalCompound:molecularF...	C17 H20 N2 O2 S
chemicalCompound:moleculeId	359413
chemicalCompound:mwFreebase	316.418
chemicalCompound:alogp	2.447
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	70.67
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.798
chemicalCompound:acdLogD	1.291
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.418
chemicalCompound:acdMostBpk...	7.745
chemicalCompound:chemblId	CHEMBL386244
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:459413
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:1770961, activity:1770964, activity:1770969, activity:1770977, activity:1770980, activity:1770985, activity:1770988, activity:1770995, activity:1770998