598131

Source:http://linkedlifedata.com/resource/chembl/compound/598131

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:598131_PHA-919_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C31H31ClFN7O3/c1-43-15-14-38-10-12-39(13-11-38)27-17-25(26(32)18-35-27)31(42)36-21-6-2-19-3-9-23-28(30(34)41)37-40(29(23)24(19)16-21)22-7-4-20(33)5-8-22/h2,4-8,16-18H,3,9-15H2,1H3,(H2,34,41)(H,36,42)
chemicalCompound:standardIn...	RFRNHNLTXYAIMW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCN1CCN(CC1)c2cc(C(=O)Nc3ccc4CCc5c(nn(c6ccc(F)cc6)c5c4c3)C(=O)N)c(Cl)cn2
chemicalCompound:molecularF...	C31H31ClFN7O3
chemicalCompound:moleculeId	598131
chemicalCompound:mwFreebase	604.074
chemicalCompound:alogp	4.929
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	118.6
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.219
chemicalCompound:acdLogP	2.682
chemicalCompound:acdLogD	2.586
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	604.074
chemicalCompound:acdMostBpk...	6.787
chemicalCompound:chemblId	CHEMBL601079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:698131
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:3133100, activity:3133121, activity:5195706, activity:5195745, activity:5195784