355448

Source:http://linkedlifedata.com/resource/chembl/compound/355448

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/C26H30F2N2O/c27-20-9-5-18(6-10-20)22-3-1-2-4-24(22)30-15-13-26(14-16-30)23(17-29-25(26)31)19-7-11-21(28)12-8-19/h5-12,22-24H,1-4,13-17H2,(H,29,31)/t22-,23+,24-/m1/s1
chemicalCompound:standardIn...	YUWXDNRDMDDSJC-TZRRMPRUSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)[C@H]2CCCC[C@H]2N3CCC4(CC3)[C@@H](CNC4=O)c5ccc(F)cc5
chemicalCompound:molecularF...	C26 H30 F2 N2 O
chemicalCompound:moleculeId	355448
chemicalCompound:mwFreebase	424.526
chemicalCompound:alogp	4.978
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	32.34
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.894
chemicalCompound:acdLogD	4.28
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	424.526
chemicalCompound:acdMostBpk...	9.034
chemicalCompound:chemblId	CHEMBL378686
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:455448
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:1753874, activity:1753875, activity:1753876, activity:1753877