240515

Source:http://linkedlifedata.com/resource/chembl/compound/240515

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H21NO3/c1-3-4-5-8-15(2)10-13(16-18)12-7-6-11(17)9-14(12)19-15/h6-7,9,17-18H,3-5,8,10H2,1-2H3/b16-13-
chemicalCompound:standardIn...	OUGSIQMWBKBKMT-SSZFMOIBSA-N
chemicalCompound:canonicalS...	CCCCCC1(C)C\C(=N\O)\c2ccc(O)cc2O1
chemicalCompound:molecularF...	C15 H21 N O3
chemicalCompound:moleculeId	240515
chemicalCompound:mwFreebase	263.332
chemicalCompound:alogp	3.787
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	62.05
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.278
chemicalCompound:acdLogP	4.946
chemicalCompound:acdLogD	4.941
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	263.332
chemicalCompound:chemblId	CHEMBL358748
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:340515
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:1275060, activity:1275061, activity:1275062, activity:1275063, activity:1275064, activity:1275065, activity:1275066, activity:1275067