13583

Source:http://linkedlifedata.com/resource/chembl/compound/13583

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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/C28H33FO5/c1-26-12-11-21-20-10-8-19(31)13-16(20)3-9-22(21)23(26)14-25-28(26,24(32)15-30)34-27(2,33-25)17-4-6-18(29)7-5-17/h4-7,13,20-23,25,30H,3,8-12,14-15H2,1-2H3/t20-,21?,22?,23?,25+,26-,27+,28+/m0/s1
chemicalCompound:standardIn...	QODLMMIYPYLOPJ-BWLCFPFUSA-N
chemicalCompound:canonicalS...	C[C@]1(O[C@@H]2CC3C4CCC5=CC(=O)CC[C@@H]5C4CC[C@]3(C)[C@@]2(O1)C(=O)CO)c6ccc(F)cc6
chemicalCompound:molecularF...	C28 H33 F O5
chemicalCompound:moleculeId	13583
chemicalCompound:mwFreebase	468.557
chemicalCompound:alogp	3.843
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.867
chemicalCompound:acdLogP	5.01
chemicalCompound:acdLogD	5.01
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.557
chemicalCompound:chemblId	CHEMBL13977
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113583
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:867049, activity:867050, activity:867051, activity:867052, activity:867053, activity:867054, activity:867055, activity:867056, activity:867057, activity:867058, activity:867059, activity:867060, activity:867061, activity:867062, activity:867063, activity:867064, activity:867065, activity:867066, activity:867067, activity:867068, activity:867069, activity:867070, activity:867071, activity:867072, activity:867073, activity:867074, activity:867075, activity:867076, activity:867077, activity:867078, activity:867079, activity:867080, activity:867081, activity:867082, activity:867083, activity:867084, activity:867085, activity:867086, activity:867087, activity:867088, activity:867089, activity:867090, activity:867091, activity:867092, activity:867093, activity:867094, activity:867095, activity:867096, activity:867097, activity:867098, activity:867099, activity:867100, activity:1295609, activity:1295610, activity:1295611, activity:1295612, activity:1295613, activity:1295614, activity:1295615, activity:1295616, activity:1295617, activity:1295618, activity:1295619, activity:1295620, activity:1295621, activity:1295622, activity:1295623