581768

Source:http://linkedlifedata.com/resource/chembl/compound/581768

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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/C20H26FNO4/c1-12-11-15-16(13(2)20(6-7-20)19(3,25)17(15)23)14(12)5-4-10-26-18(24)22-9-8-21/h11,25H,4-10H2,1-3H3,(H,22,24)/t19-/m0/s1
chemicalCompound:standardIn...	QOLCZTBHYGIGBL-IBGZPJMESA-N
chemicalCompound:canonicalS...	CC1=C(CCCOC(=O)NCCF)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
chemicalCompound:molecularF...	C20H26FNO4
chemicalCompound:moleculeId	581768
chemicalCompound:mwFreebase	363.423
chemicalCompound:alogp	2.926
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	75.63
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.733
chemicalCompound:acdLogP	2.475
chemicalCompound:acdLogD	2.475
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	363.423
chemicalCompound:chemblId	CHEMBL585158
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:681768
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:2988547, activity:2988560, activity:2988571