15344

Source:http://linkedlifedata.com/resource/chembl/compound/15344

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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/C22H20F3N3O3/c1-11-8-27(9-12(2)26-11)20-7-19-14(6-17(20)25)21(29)15(22(30)31)10-28(19)18-4-3-13(23)5-16(18)24/h3-7,10-12,26H,8-9H2,1-2H3,(H,30,31)
chemicalCompound:standardIn...	CTWGYQIEMLEBCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CN(CC(C)N1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F
chemicalCompound:molecularF...	C22 H20 F3 N3 O3
chemicalCompound:moleculeId	15344
chemicalCompound:mwFreebase	431.408
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	72.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.021
chemicalCompound:acdLogP	1.811
chemicalCompound:acdLogD	-0.378
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	431.408
chemicalCompound:acdMostBpk...	8.803
chemicalCompound:chemblId	CHEMBL416160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115344
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:44624, activity:296336, activity:296337, activity:296338, activity:296339, activity:296340, activity:296341, activity:296342, activity:1143690, activity:1143691, activity:1143692, activity:1143693, activity:1143694, activity:1143695, activity:1143696, activity:1143697, activity:1143698, activity:1143699