55917

Source:http://linkedlifedata.com/resource/chembl/compound/55917

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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/C35H26FN3O6/c36-26-11-6-23(7-12-26)8-20-34(41)38-31-18-13-27(22-30(31)35(42)25-4-2-1-3-5-25)37-33(40)21-17-29-16-19-32(45-29)24-9-14-28(15-10-24)39(43)44/h1-7,9-19,21-22H,8,20H2,(H,37,40)(H,38,41)/b21-17+
chemicalCompound:standardIn...	DWVVDTICAQQQFF-HEHNFIMWSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1ccc(cc1)c2oc(\C=C\C(=O)Nc3ccc(NC(=O)CCc4ccc(F)cc4)c(c3)C(=O)c5ccccc5)cc2
chemicalCompound:molecularF...	C35 H26 F N3 O6
chemicalCompound:moleculeId	55917
chemicalCompound:mwFreebase	603.596
chemicalCompound:alogp	7.067
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	134.22
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.889
chemicalCompound:acdLogP	6.861
chemicalCompound:acdLogD	6.861
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.596
chemicalCompound:acdMostBpk...	0.129
chemicalCompound:chemblId	CHEMBL289801
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:155917
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:1076320