219596

Source:http://linkedlifedata.com/resource/chembl/compound/219596

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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/C23H21F2N3O3/c24-17-8-14-20(28(13-6-7-13)10-16(22(14)29)23(30)31)19(25)21(17)27-9-15(18(26)11-27)12-4-2-1-3-5-12/h1-5,8,10,13,15,18H,6-7,9,11,26H2,(H,30,31)
chemicalCompound:standardIn...	FJHKBXPXIQCCFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CN(CC1c2ccccc2)c3c(F)cc4C(=O)C(=CN(C5CC5)c4c3F)C(=O)O
chemicalCompound:molecularF...	C23 H21 F2 N3 O3
chemicalCompound:moleculeId	219596
chemicalCompound:mwFreebase	425.428
chemicalCompound:alogp	0.302
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	86.87
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.398
chemicalCompound:acdLogP	3.371
chemicalCompound:acdLogD	1.538
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	425.428
chemicalCompound:acdMostBpk...	8.873
chemicalCompound:chemblId	CHEMBL337481
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:319596
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:441424, activity:441425, activity:441426, activity:441427, activity:441428, activity:441429, activity:441430, activity:441431, activity:441432, activity:441433, activity:441434, activity:441435, activity:1059482, activity:1059483, activity:1059484, activity:1059485, activity:1059486, activity:1059487, activity:1059488, activity:1059489, activity:1059490, activity:1059491, activity:1059492, activity:1059493, activity:1059494, activity:1059495