559235

Source:http://linkedlifedata.com/resource/chembl/compound/559235

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:559235_CP-55940_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
chemicalCompound:standardIn...	YNZFFALZMRAPHQ-SYYKKAFVSA-N
chemicalCompound:canonicalS...	CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
chemicalCompound:molecularF...	C24H40O3
chemicalCompound:moleculeId	559235
chemicalCompound:mwFreebase	376.573
chemicalCompound:alogp	6.162
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.246
chemicalCompound:acdLogP	6.198
chemicalCompound:acdLogD	6.197
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.573
chemicalCompound:chemblId	CHEMBL559612
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:659235
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CP-55940
chemicalCompound:activity	activity:69279, activity:69280, activity:69281, activity:836568, activity:908536, activity:908537, activity:1192011, activity:1192012, activity:1192013, activity:1206922, activity:1206923, activity:1292960, activity:1292961, activity:1493274, activity:1493275, activity:1663231, activity:1663267, activity:1667515, activity:1667618, activity:1667646, activity:1667647, activity:1670389, activity:1670390, activity:1773696, activity:1796130, activity:1796131, activity:1796132, activity:1796133, activity:1914626, activity:1914627, activity:1914638, activity:1914640, activity:1914643, activity:1914656, activity:1916271, activity:1993678, activity:1993746, activity:1993882, activity:2011970, activity:2011972, activity:2011976, activity:2048527, activity:2048532, activity:2048570, activity:2048582, activity:2130193, activity:2130220, activity:2130246, activity:2130261, activity:2130262, activity:2133333, activity:2133348, activity:2133357, activity:2133366, activity:2224493, activity:2224497, activity:2224503, activity:2224507, activity:2224629, activity:2224630, activity:2224631, activity:2229006, activity:2229007, activity:2229008, activity:2229009