675860

Source:http://linkedlifedata.com/resource/chembl/compound/675860

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:8359
chemicalCompound:standardIn...	InChI=1S/C12H19FN2O.C2H2O4/c1-11(16)14(2)7-3-4-8-15-9-5-12(13)6-10-15;3-1(4)2(5)6/h12H,5-10H2,1-2H3;(H,3,4)(H,5,6)
chemicalCompound:standardIn...	ZSBHXXBAWQBINI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CC#CCN1CCC(F)CC1)C(=O)C.OC(=O)C(=O)O
chemicalCompound:molecularF...	C14H21FN2O5
chemicalCompound:moleculeId	675860
chemicalCompound:mwFreebase	226.29
chemicalCompound:alogp	0.681
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	23.55
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.45
chemicalCompound:acdLogD	1.443
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	316.325
chemicalCompound:acdMostBpk...	5.729
chemicalCompound:chemblId	CHEMBL1201909
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775860
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:1048943, activity:1048944, activity:1048945, activity:1048946, activity:1048947