294411

Source:http://linkedlifedata.com/resource/chembl/compound/294411

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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/C28H30FN5O8/c1-3-32-13-19(27(38)39)25(36)18-10-20(29)22(11-21(18)32)33-8-6-31(7-9-33)14-24(35)41-15-17-4-5-23(42-17)34-12-16(2)26(37)30-28(34)40/h4-5,10-13,17,23H,3,6-9,14-15H2,1-2H3,(H,38,39)(H,30,37,40)
chemicalCompound:standardIn...	QTYCOBPHZQCRJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(CC(=O)OCC4OC(C=C4)N5C=C(C)C(=O)NC5=O)CC3
chemicalCompound:molecularF...	C28 H30 F N5 O8
chemicalCompound:moleculeId	294411
chemicalCompound:mwFreebase	583.565
chemicalCompound:alogp	-1.654
chemicalCompound:hba	11
chemicalCompound:hbd	2
chemicalCompound:psa	149.02
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.159
chemicalCompound:acdLogP	1.438
chemicalCompound:acdLogD	-0.5
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	583.565
chemicalCompound:acdMostBpk...	4.701
chemicalCompound:chemblId	CHEMBL174488
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394411
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:57683, activity:57684, activity:57685, activity:57686, activity:57687, activity:57688, activity:57689, activity:57690, activity:57691, activity:57692, activity:57693, activity:57694, activity:57695, activity:57696, activity:57697, activity:57698, activity:57699, activity:57700, activity:57701, activity:57702, activity:57703, activity:57704, activity:57705, activity:57706, activity:57707, activity:57708, activity:57709, activity:57710, activity:57711