230634

Source:http://linkedlifedata.com/resource/chembl/compound/230634

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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/C18H20FN3O4/c1-26-17-14-11(6-13(19)15(17)21-5-4-9(20)7-21)16(23)12(18(24)25)8-22(14)10-2-3-10/h6,8-10H,2-5,7,20H2,1H3,(H,24,25)/t9-/m0/s1
chemicalCompound:standardIn...	DWUDIDPUESEORN-VIFPVBQESA-N
chemicalCompound:canonicalS...	COc1c(N2CC[C@H](N)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(=O)O
chemicalCompound:molecularF...	C18 H20 F N3 O4
chemicalCompound:moleculeId	230634
chemicalCompound:mwFreebase	361.367
chemicalCompound:alogp	-1.401
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	96.1
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.424
chemicalCompound:acdLogP	1.886
chemicalCompound:acdLogD	-0.387
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	361.367
chemicalCompound:acdMostBpk...	9.166
chemicalCompound:chemblId	CHEMBL335783
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:330634
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:326567, activity:326568, activity:326569, activity:326570, activity:326571, activity:326572, activity:326573, activity:326574, activity:326575, activity:326576, activity:326577, activity:326578, activity:326579, activity:326580, activity:326581, activity:326582, activity:326583, activity:3549720, activity:3549730, activity:3549742