17986

Source:http://linkedlifedata.com/resource/chembl/compound/17986

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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/C26H27FO2/c1-3-26(29)13-12-23-21-10-6-17-14-19(28)9-11-20(17)24(21)22(15-25(23,26)2)16-4-7-18(27)8-5-16/h1,4-5,7-8,14,21-23,29H,6,9-13,15H2,2H3/t21?,22?,23?,25?,26-/m0/s1
chemicalCompound:standardIn...	MIIXBLFYUHDLDE-RSCANOKFSA-N
chemicalCompound:canonicalS...	CC12CC(C3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C#C)c5ccc(F)cc5
chemicalCompound:molecularF...	C26 H27 F O2
chemicalCompound:moleculeId	17986
chemicalCompound:mwFreebase	390.49
chemicalCompound:alogp	5.749
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	37.29
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.946
chemicalCompound:acdLogP	4.786
chemicalCompound:acdLogD	4.786
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	390.49
chemicalCompound:chemblId	CHEMBL441339
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117986
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:450018, activity:450019, activity:450020, activity:450021, activity:450022, activity:450023, activity:450024, activity:450025, activity:450026, activity:450027