587942

Source:http://linkedlifedata.com/resource/chembl/compound/587942

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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:587942_GNF-PF-71_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C31H29N5O2S/c37-29(32-18-17-21-9-3-1-4-10-21)22-15-16-24-27(19-22)35-31(36(30(24)38)23-11-5-2-6-12-23)39-20-28-33-25-13-7-8-14-26(25)34-28/h2,5-9,11-16,19H,1,3-4,10,17-18,20H2,(H,32,37)(H,33,34)
chemicalCompound:standardIn...	LVATVCHCVUYZMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NCCC1=CCCCC1)c2ccc3C(=O)N(C(=Nc3c2)SCc4nc5ccccc5[nH]4)c6ccccc6
chemicalCompound:molecularF...	C31H29N5O2S
chemicalCompound:moleculeId	587942
chemicalCompound:mwFreebase	535.659
chemicalCompound:alogp	6.641
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	115.75
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.324
chemicalCompound:acdLogP	4.842
chemicalCompound:acdLogD	4.839
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	535.659
chemicalCompound:acdMostBpk...	4.803
chemicalCompound:chemblId	CHEMBL585933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:687942
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:3023360, activity:3026704, activity:3027551, activity:3044507, activity:6237082