113607

Source:http://linkedlifedata.com/resource/chembl/compound/113607

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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/C20H26FN3O4/c1-13(25)9-15-5-7-23(8-6-15)19-4-3-16(10-18(19)21)24-12-17(28-20(24)27)11-22-14(2)26/h3-4,9-10,13,17,25H,5-8,11-12H2,1-2H3,(H,22,26)/t13?,17-/m0/s1
chemicalCompound:standardIn...	WUYCZUNBQGMRAL-RUINGEJQSA-N
chemicalCompound:canonicalS...	CC(O)C=C1CCN(CC1)c2ccc(cc2F)N3C[C@H](CNC(=O)C)OC3=O
chemicalCompound:molecularF...	C20 H26 F N3 O4
chemicalCompound:moleculeId	113607
chemicalCompound:mwFreebase	391.437
chemicalCompound:alogp	1.868
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	82.11
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.806
chemicalCompound:acdLogD	0.677
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.437
chemicalCompound:acdMostBpk...	7.003
chemicalCompound:chemblId	CHEMBL304363
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213607
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:184203, activity:184204, activity:184205, activity:184206, activity:184207, activity:184208, activity:184209, activity:184210, activity:184211, activity:184212, activity:184213