276197

Source:http://linkedlifedata.com/resource/chembl/compound/276197

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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/C22H23F3N2O4/c1-13(28)31-20-16(14-6-8-15(30-2)9-7-14)12-17-18(22(23,24)25)4-3-5-19(17)27(11-10-26)21(20)29/h3-9,16,20H,10-12,26H2,1-2H3/t16-,20+/m0/s1
chemicalCompound:standardIn...	IVJIXESHPJTUEG-OXJNMPFZSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C22 H23 F3 N2 O4
chemicalCompound:moleculeId	276197
chemicalCompound:mwFreebase	436.424
chemicalCompound:alogp	2.978
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.86
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.726
chemicalCompound:acdLogD	2.123
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	436.424
chemicalCompound:acdMostBpk...	9.006
chemicalCompound:chemblId	CHEMBL168066
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376197
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:643387, activity:643388, activity:643389, activity:643390, activity:643391