291116

Source:http://linkedlifedata.com/resource/chembl/compound/291116

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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/C29H31FN2O3/c30-11-3-12-32-21-5-2-1-4-19(21)20-15-29(34)23-14-18-8-9-22(33)26-24(18)28(29,27(35-26)25(20)32)10-13-31(23)16-17-6-7-17/h1-2,4-5,8-9,17,23,27,33-34H,3,6-7,10-16H2/t23?,27-,28?,29+/m0/s1
chemicalCompound:standardIn...	YVTDFKWJICCMTQ-SXNYVGIYSA-N
chemicalCompound:canonicalS...	Oc1ccc2CC3N(CC4CC4)CCC56[C@@H](Oc1c25)c7c(C[C@@]36O)c8ccccc8n7CCCF
chemicalCompound:molecularF...	C29 H31 F N2 O3
chemicalCompound:moleculeId	291116
chemicalCompound:mwFreebase	474.566
chemicalCompound:alogp	4.518
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	57.86
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.44
chemicalCompound:acdLogP	2.054
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.566
chemicalCompound:acdMostBpk...	8.273
chemicalCompound:chemblId	CHEMBL368421
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:391116
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:563134, activity:563135, activity:563136, activity:563137, activity:563138