81407

Source:http://linkedlifedata.com/resource/chembl/compound/81407

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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/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
chemicalCompound:standardIn...	BLYMJBIZMIGWFK-OAHLLOKOSA-N
chemicalCompound:canonicalS...	CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
chemicalCompound:molecularF...	C16H25NO
chemicalCompound:moleculeId	81407
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...	10.389
chemicalCompound:acdLogP	3.653
chemicalCompound:acdLogD	1.612
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	247.376
chemicalCompound:acdMostBpk...	9.472
chemicalCompound:chemblId	CHEMBL301559
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:181407
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:195137, activity:195138, activity:195139, activity:195140, activity:209929, activity:209930, activity:209931, activity:209932, activity:329738, activity:329739, activity:329740, activity:329741, activity:329742, activity:329743, activity:418941, activity:418942, activity:418943, activity:418944, activity:418945, activity:418946, activity:418947, activity:418948, activity:418949, activity:418950, activity:418951, activity:493092, activity:493093, activity:493094, activity:654985, activity:654986, activity:666641, activity:666642, activity:666643, activity:666644, activity:666645, activity:682492, activity:682493, activity:682494, activity:691394, activity:765485, activity:765486, activity:765487, activity:765488, activity:765489, activity:765490, activity:840016, activity:840017, activity:840018, activity:840019, activity:847326, activity:847327, activity:847328, activity:847329, activity:1033628, activity:1033629, activity:1033630, activity:1033631, activity:1033632, activity:1071284, activity:1071285, activity:1071286, activity:1071287, activity:1071288, activity:1500318, activity:2064767, activity:2064786