277091

Source:http://linkedlifedata.com/resource/chembl/compound/277091

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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/C25H29F3N2O2/c1-17-20(18-8-10-19(32-2)11-9-18)16-21-22(25(26,27)28)6-5-7-23(21)30(24(17)31)15-14-29-12-3-4-13-29/h5-11,17,20H,3-4,12-16H2,1-2H3/t17-,20-/m1/s1
chemicalCompound:standardIn...	ITVZJUUDQNPSFA-YLJYHZDGSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN4CCCC4)C(=O)[C@@H]2C
chemicalCompound:molecularF...	C25 H29 F3 N2 O2
chemicalCompound:moleculeId	277091
chemicalCompound:mwFreebase	446.505
chemicalCompound:alogp	5.209
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.837
chemicalCompound:acdLogD	4.439
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	446.505
chemicalCompound:acdMostBpk...	8.939
chemicalCompound:chemblId	CHEMBL164247
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:377091
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:643392, activity:643393, activity:643394, activity:643395