1285588

Source:http://linkedlifedata.com/resource/chembl/compound/1285588

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/C19H25NO2/c1-4-16-13(2)19(11-12-20-18(19)21)10-9-17(16)14-5-7-15(22-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3,(H,20,21)/t13-,19+/m1/s1
chemicalCompound:standardIn...	HLOROWSFWSHOTM-YJYMSZOUSA-N
chemicalCompound:canonicalS...	CCC1=C(CC[C@]2(CCNC2=O)[C@@H]1C)c3ccc(OC)cc3
chemicalCompound:molecularF...	C19H25NO2
chemicalCompound:moleculeId	1285588
chemicalCompound:mwFreebase	299.407
chemicalCompound:alogp	3.677
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.33
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.122
chemicalCompound:acdLogD	4.122
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.407
chemicalCompound:chemblId	CHEMBL1964297
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1385588
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:8229818, activity:8258238, activity:8307865, activity:8323125, activity:8404411, activity:8437812, activity:8448710, activity:8508514, activity:8513085, activity:8533055, activity:8607493, activity:8613911, activity:8694948, activity:8781115, activity:8783579, activity:8811479, activity:8813492, activity:8912073, activity:8932603, activity:8979780, activity:9008946, activity:9025579, activity:9105848, activity:9116718, activity:9160272, activity:9196970, activity:9225778, activity:9298497, activity:9302029, activity:9379425, activity:9447745, activity:9463060, activity:9632557, activity:9718678, activity:9720370, activity:9804351, activity:9871415, activity:9900412, activity:9934113, activity:9972028, activity:9984926, activity:9996170, activity:10093415, activity:10183480, activity:10185070, activity:10225800, activity:10258406, activity:10265110, activity:10302369, activity:10376847, activity:10431991, activity:10450569, activity:10502479, activity:10603472, activity:10610851, activity:10634333, activity:10713219, activity:10733413, activity:10801561