12835

Source:http://linkedlifedata.com/resource/chembl/compound/12835

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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/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-
chemicalCompound:standardIn...	MBTDIENWIYANIG-GDNBJRDFSA-N
chemicalCompound:canonicalS...	CN(C)CCNC(=O)c1c(C)[nH]c(\C=C\2/C(=O)Nc3ccc(F)cc23)c1C
chemicalCompound:molecularF...	C20 H23 F N4 O2
chemicalCompound:moleculeId	12835
chemicalCompound:mwFreebase	370.421
chemicalCompound:alogp	2.3
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	77.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.702
chemicalCompound:acdLogP	1.248
chemicalCompound:acdLogD	0.753
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.421
chemicalCompound:acdMostBpk...	8.37
chemicalCompound:chemblId	CHEMBL13976
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:112835
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:741552, activity:741553, activity:741554, activity:741555, activity:741556, activity:741557, activity:741558, activity:741559, activity:741560, activity:741561