190655

Source:http://linkedlifedata.com/resource/chembl/compound/190655

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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/C35H41F3N2O3/c36-35(37,38)29-17-19-31(20-18-29)43-33(28-12-4-3-5-13-28)21-24-39-22-8-1-2-9-23-40-25-30(41)26-42-34-16-10-14-27-11-6-7-15-32(27)34/h3-7,10-20,30,33,39-41H,1-2,8-9,21-26H2
chemicalCompound:standardIn...	BURGJUYFBCVNFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CNCCCCCCNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2)COc3cccc4ccccc34
chemicalCompound:molecularF...	C35 H41 F3 N2 O3
chemicalCompound:moleculeId	190655
chemicalCompound:mwFreebase	594.707
chemicalCompound:alogp	7.22
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	62.75
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.853
chemicalCompound:acdLogP	7.297
chemicalCompound:acdLogD	3.355
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	594.707
chemicalCompound:acdMostBpk...	10.069
chemicalCompound:chemblId	CHEMBL117825
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:290655
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:464390, activity:464391