684841

Source:http://linkedlifedata.com/resource/chembl/compound/684841

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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:684841_NSC-210236_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3/b14-10-,15-9+/t18-,19-,20-,22+/m0/s1
chemicalCompound:standardIn...	WMGWWFHPPNGBBT-KRDXZWTKSA-N
chemicalCompound:canonicalS...	CC(=O)O[C@H]1C\C(=C\CC\C(=C/CC[C@@](C)(O)[C@@H]2C[C@H]1C(=C)C(=O)O2)\C)\C
chemicalCompound:molecularF...	C22H32O5
chemicalCompound:moleculeId	684841
chemicalCompound:mwFreebase	376.486
chemicalCompound:alogp	4.092
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.816
chemicalCompound:acdLogP	3.095
chemicalCompound:acdLogD	3.095
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.486
chemicalCompound:chemblId	CHEMBL1213002
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:784841
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:3395406, activity:3395422, activity:3395424, activity:3395425, activity:3395429, activity:3395430, activity:3395431, activity:3395432, activity:3395433, activity:3395434, activity:3395439, activity:3395454, activity:3395461, activity:3395468, activity:3395475, activity:3395490, activity:3395496, activity:3395502, activity:3395508, activity:3395515, activity:3395522, activity:3395529, activity:3395536, activity:3395543, activity:3395550, activity:3395558, activity:3395565, activity:3395572, activity:3395580, activity:3395587, activity:3395594, activity:3395601, activity:3395608, activity:3395615, activity:3395622, activity:3395629, activity:3395636, activity:3395643, activity:3395650, activity:3395657, activity:3395664, activity:3395671, activity:3395678, activity:3395685, activity:3395701, activity:3395708