687

Source:http://linkedlifedata.com/resource/chembl/compound/687

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/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
chemicalCompound:standardIn...	MDBWEQVKJDMEMK-AWEZNQCLSA-N
chemicalCompound:canonicalS...	CCCN(CCC)[C@H]1CCc2c(O)cccc2C1
chemicalCompound:molecularF...	C16H25NO
chemicalCompound:moleculeId	687
chemicalCompound:mwFreebase	247.376
chemicalCompound:alogp	4.287
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.543
chemicalCompound:acdLogP	3.55
chemicalCompound:acdLogD	1.68
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	247.376
chemicalCompound:acdMostBpk...	9.387
chemicalCompound:chemblId	CHEMBL269004
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100687
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:212992, activity:212993, activity:212994, activity:212995, activity:667493, activity:667494, activity:668066, activity:668067, activity:668068, activity:694194, activity:694195, activity:694196, activity:725493, activity:725494, activity:725495, activity:725496, activity:725497, activity:725498, activity:733848, activity:733849, activity:733850, activity:733851, activity:733852, activity:733853, activity:733854, activity:733855, activity:733856, activity:733857, activity:736400, activity:736401, activity:753021, activity:753022, activity:753023, activity:753024, activity:1234308, activity:1234309, activity:1234310, activity:2596985, activity:2597006, activity:2597027