220144

Source:http://linkedlifedata.com/resource/chembl/compound/220144

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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/C18H25FN4O5/c1-13(24)21-20-11-15-12-23(18(25)28-15)14-2-3-17(16(19)10-14)27-9-6-22-4-7-26-8-5-22/h2-3,10,15,20H,4-9,11-12H2,1H3,(H,21,24)/t15-/m0/s1
chemicalCompound:standardIn...	KNAQYECQZVIEQV-HNNXBMFYSA-N
chemicalCompound:canonicalS...	CC(=O)NNC[C@H]1CN(C(=O)O1)c2ccc(OCCN3CCOCC3)c(F)c2
chemicalCompound:molecularF...	C18 H25 F N4 O5
chemicalCompound:moleculeId	220144
chemicalCompound:mwFreebase	396.413
chemicalCompound:alogp	0.362
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	92.37
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.057
chemicalCompound:acdLogP	-0.02
chemicalCompound:acdLogD	-0.053
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	396.413
chemicalCompound:acdMostBpk...	6.275
chemicalCompound:chemblId	CHEMBL340042
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:320144
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:780287, activity:780288, activity:780289, activity:780290, activity:780291, activity:780292