469989

Source:http://linkedlifedata.com/resource/chembl/compound/469989

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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:469989_NCI-58425_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C17H16F3NO4/c1-2-3-10-24-13-5-7-14(8-6-13)25-16-9-4-12(17(18,19)20)11-15(16)21(22)23/h4-9,11H,2-3,10H2,1H3
chemicalCompound:standardIn...	AOQOXPPRTCVMPF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOc1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1
chemicalCompound:molecularF...	C17H16F3NO4
chemicalCompound:moleculeId	469989
chemicalCompound:mwFreebase	355.308
chemicalCompound:alogp	5.539
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	64.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.059
chemicalCompound:acdLogD	5.059
chemicalCompound:fullMwt	355.308
chemicalCompound:chemblId	CHEMBL493092
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:569989
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:2370401, activity:2370402