134666

Source:http://linkedlifedata.com/resource/chembl/compound/134666

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H21FN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3
chemicalCompound:standardIn...	MSQRTETUBFIHMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC1CC2N(O1)c3cc(F)ccc3Cc4ccccc24
chemicalCompound:molecularF...	C19 H21 F N2 O
chemicalCompound:moleculeId	134666
chemicalCompound:mwFreebase	312.381
chemicalCompound:alogp	3.865
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	15.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.953
chemicalCompound:acdLogD	1.542
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	312.381
chemicalCompound:acdMostBpk...	8.66
chemicalCompound:chemblId	CHEMBL84931
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:234666
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:1152325, activity:1152326, activity:1152327, activity:1152328, activity:1152329, activity:1152330, activity:1152331, activity:1152332, activity:1152333, activity:1152334, activity:1152335, activity:1152336, activity:1152337, activity:1152338, activity:1152339