568929

Source:http://linkedlifedata.com/resource/chembl/compound/568929

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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/C23H27F3N4/c24-23(25,26)19-9-6-12-21(16-19)30(28-27-20-10-2-1-3-11-20)17-18-8-7-15-29-14-5-4-13-22(18)29/h1-3,6,9-12,16,18,22H,4-5,7-8,13-15,17H2/b28-27+/t18-,22+/m0/s1
chemicalCompound:standardIn...	MQQFZWSZTOMTFN-HLYKMARESA-N
chemicalCompound:canonicalS...	FC(F)(F)c1cccc(c1)N(C[C@@H]2CCCN3CCCC[C@H]23)N=Nc4ccccc4
chemicalCompound:molecularF...	C23H27F3N4
chemicalCompound:moleculeId	568929
chemicalCompound:mwFreebase	416.482
chemicalCompound:alogp	6.373
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	31.2
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.35
chemicalCompound:acdLogD	3.959
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	416.482
chemicalCompound:acdMostBpk...	10.053
chemicalCompound:chemblId	CHEMBL575657
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668929
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:2913470, activity:2913516, activity:2913574, activity:2913632, activity:2913690, activity:2913748, activity:2913806, activity:2914236, activity:2914269, activity:2914327, activity:2914385, activity:2914467, activity:2914487, activity:2914508, activity:2914529